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ATP-dependent 6-phosphofructokinase

Catalyzes the phosphorylation of D-fructose 6-phosphate to fructose 1,6-bisphosphate by ATP, the first committing step of glycolysis.

AlphaFold DB , UniProt , Accession Q27778, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene PFK, Length 781 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M26.3Very low44Very low248 Ų248108.4 Ų108.4100%1.22256%0.563SS**  053.70-66.8-174.1-170.500110.8
2A22.1Very low47.2Very low66 Ų66110.8 Ų110.855%0.54556%0.559SS.*  trans-92.7129.8148.900000104.3W4A2-W4 VanDerWaalsContact C-N 3.28Å; A2-W4 PolarHBondContact O-N 3.07Å; A2-W4 PolarHBondContact O-NE1 3.27Å
3T23.4Very low50.1Low141 Ų141104.4 Ų104.487%0.86554%0.538SS*.  trans-65.297.4167.437.80000106.9M5T3-M5 PolarHBondContact O-N 2.87Å
4W29.2Very low52.6Low161 Ų161102.6 Ų102.661%0.6153%0.526SS*.  trans-58.6123.7174.6-55.798.5000108.3A2 E6 I774 M775A2-W4 VanDerWaalsContact C-N 3.28Å; A2-W4 PolarHBondContact O-N 3.07Å; A2-W4 PolarHBondContact O-NE1 3.27Å; W4-E6 PolarHBondContact O-N 3.34Å; W4-I774 HydrophobicContact CD2-CG2 4.45Å; W4-I774 HydrophobicContact CE3-CG2 3.3Å; W4-I774 HydrophobicContact CZ3-CG2 3.46Å; W4-I774 VanDerWaalsContact CZ3-CG2 3.46Å; W4-M775 WeakPolarHBondContact CZ3-O 3.2Å
5M32.3Very low55Low106 Ų10697.1 Ų97.152%0.52250%0.496SS..  trans-80.370.2172.6-74.4-165.3-97.100108.9T3 K8T3-M5 PolarHBondContact O-N 2.87Å; M5-K8 HydrophobicContact SD-CD 4.1Å; M5-K8 WeakPolarHBondContact SD-CE 3.37Å; M5-K8 PolarHBondContact SD-NZ 2.85Å
6E32.3Very low57.1Low158 Ų15897.9 Ų97.974%0.73851%0.508SS*.  trans-73.1134.5163.6-80.4176160.500109.2W4W4-E6 PolarHBondContact O-N 3.34Å
7G45.4Very low58.7Low32 Ų3295.1 Ų95.133%0.3351%0.508SS..  trans81.337163.300000117.3Y9G7-Y9 PolarHBondContact O-N 2.91Å; G7-Y9 VanDerWaalsContact O-N 3.15Å
8K59.4Low60.5Low82 Ų8293.1 Ų93.136%0.35750%0.495SS..  trans-76.8100.3166.9-89.9-178171.9173.90110.2M5 D328M5-K8 HydrophobicContact SD-CD 4.1Å; M5-K8 WeakPolarHBondContact SD-CE 3.37Å; M5-K8 PolarHBondContact SD-NZ 2.85Å; K8-D328 IonicContact NZ-OD1 3.02Å; K8-D328 PolarHBondContact NZ-OD1 2.78Å
9Y66.9Low62.4Low141 Ų14188.4 Ų88.455%0.55347%0.47SS*.EExtended strand (participates in β ladder)trans-66.9134.5166.8-67-83.4000110.8G7 L768 Y769 E770G7-Y9 PolarHBondContact O-N 2.91Å; G7-Y9 VanDerWaalsContact O-N 3.15Å; Y9-L768 HydrophobicContact CD1-CB 4.12Å; Y9-L768 HydrophobicContact CD1-CD2 4.49Å; Y9-Y769 CarbonylContact C-O 3.54Å; Y9-Y769 VanDerWaalsContact CA-O 3.29Å; Y9-Y769 WeakPolarHBondContact CA-O 3.43Å; Y9-E770 HydrophobicContact CE1-CB 4.4Å
10V71.3Confident64.2Low10 Ų1084 Ų846%0.06145%0.447CS..EExtended strand (participates in β ladder)trans-110.6121.1175.4-178.90000110.4F15 L324 Y769V10-F15 HydrophobicContact CG1-CE2 3.96Å; V10-L324 HydrophobicContact CB-CD2 4.32Å; V10-L324 HydrophobicContact CG1-CD2 4.2Å; V10-L324 HydrophobicContact CG2-CD1 4.2Å; V10-L324 HydrophobicContact CG2-CD2 3.76Å; V10-Y769 PolarHBondContact N-O 3.03Å; V10-Y769 PolarHBondContact O-N 3.48Å
11A75.2Confident65.8Low47 Ų4780 Ų8039%0.38843%0.426SS..  trans-90.9150.7177.700000111.1G13 Q14A11-G13 PolarHBondContact O-N 3.35Å; A11-Q14 VanDerWaalsContact O-CB 3.29Å; A11-Q14 WeakPolarHBondContact O-CB 3.35Å; A11-Q14 PolarHBondContact O-N 3.43Å
12R82.5Confident69.2Low138 Ų13868.1 Ų68.152%0.52137%0.367SS..THydrogen-bonded Turntrans-56.7131.8176-172171.3174.7-171-3.7111Q14 Y45 D766R12-Q14 VanDerWaalsContact C-N 3.29Å; R12-Q14 PolarHBondContact O-N 2.69Å; R12-Y45 WeakPolarHBondContact CA-O 3.42Å; R12-Y45 HydrophobicContact CB-CD2 4.25Å; R12-Y45 HydrophobicContact CB-CE2 3.61Å; R12-Y45 HydrophobicContact CG-CD2 4.02Å; R12-Y45 HydrophobicContact CG-CE2 3.84Å; R12-Y45 WeakPolarHBondContact CG-O 3.27Å; R12-Y45 PolarHBondContact N-OH 3.25Å; R12-D766 WeakPolarHBondContact CD-OD1 3.19Å; R12-D766 IonicContact CZ-OD1 3.95Å; R12-D766 IonicContact NE-OD1 2.65Å; R12-D766 IonicContact NH1-OD1 2.86Å; R12-D766 PolarHBondContact NH1-OD1 3.15Å; R12-D766 IonicContact NH1-OD2 3.58Å; R12-D766 PolarHBondContact NH1-OD2 3.24Å
13G85.5Confident72.8Confident27 Ų2765 Ų6528%0.27834%0.341SS..THydrogen-bonded Turntrans75.37.7176.200000115.9A11 F15 T16 Y45 C46A11-G13 PolarHBondContact O-N 3.35Å; G13-F15 PolarHBondContact O-N 3.02Å; G13-F15 VanDerWaalsContact O-N 3.08Å; G13-T16 PolarHBondContact O-N 2.66Å; G13-T16 PolarHBondContact O-OG1 3.02Å; G13-Y45 PolarHBondContact N-O 3.4Å; G13-C46 CarbonylContact C-O 3.59Å; G13-C46 VanDerWaalsContact CA-O 3.29Å; G13-C46 WeakPolarHBondContact CA-O 3.45Å
14Q85.1Confident76.4Confident79 Ų7958.3 Ų58.337%0.36930%0.3SS..THydrogen-bonded Turntrans-58.4-23.2-176.9-178.3175.75.400114.6A11 R12 C46A11-Q14 VanDerWaalsContact O-CB 3.29Å; A11-Q14 WeakPolarHBondContact O-CB 3.35Å; A11-Q14 PolarHBondContact O-N 3.43Å; R12-Q14 VanDerWaalsContact C-N 3.29Å; R12-Q14 PolarHBondContact O-N 2.69Å; Q14-C46 PolarHBondContact N-O 3.25Å
15F88.2Confident79.5Confident20 Ų2051 Ų519%0.08827%0.274CS..THydrogen-bonded Turntrans-121.736.7-174.2-56-81.6000111.7V10 G13 G17 E18 C46 M327V10-F15 HydrophobicContact CG1-CE2 3.96Å; G13-F15 PolarHBondContact O-N 3.02Å; G13-F15 VanDerWaalsContact O-N 3.08Å; F15-G17 PolarHBondContact O-N 3.08Å; F15-E18 HydrophobicContact CB-CG 4.35Å; F15-E18 PolarHBondContact O-N 2.85Å; F15-C46 CarbonylContact C-O 3.58Å; F15-C46 WeakPolarHBondContact CA-O 3.33Å; F15-C46 HydrophobicContact CB-CB 4.45Å; F15-C46 HydrophobicContact CD2-CB 3.85Å; F15-C46 PolarHBondContact N-O 3.22Å; F15-M327 HydrophobicContact CB-CG 4.36Å; F15-M327 HydrophobicContact CB-SD 3.66Å; F15-M327 HydrophobicContact CD1-CB 3.84Å; F15-M327 HydrophobicContact CD1-CG 3.84Å; F15-M327 HydrophobicContact CD1-SD 3.72Å; F15-M327 HydrophobicContact CD2-CB 4.36Å; F15-M327 HydrophobicContact CD2-CG 3.89Å; F15-M327 HydrophobicContact CD2-SD 4.31Å; F15-M327 HydrophobicContact CE1-CB 3.49Å; F15-M327 VanDerWaalsContact CE1-CB 3.49Å; F15-M327 HydrophobicContact CE1-CG 3.97Å; F15-M327 HydrophobicContact CE1-SD 4.39Å; F15-M327 HydrophobicContact CE2-CB 4.07Å; F15-M327 HydrophobicContact CE2-CG 4.03Å; F15-M327 HydrophobicContact CG-CB 4.24Å; F15-M327 HydrophobicContact CG-CG 3.77Å; F15-M327 HydrophobicContact CG-SD 3.65Å; F15-M327 HydrophobicContact CZ-CB 3.62Å; F15-M327 HydrophobicContact CZ-CG 4.08Å
16T88.6Confident82.3Confident111 Ų11147.9 Ų47.968%0.68127%0.268SS*.THydrogen-bonded Turntrans-57.5125.1-179.9-61.70000111.3G13 G47G13-T16 PolarHBondContact O-N 2.66Å; G13-T16 PolarHBondContact O-OG1 3.02Å; T16-G47 WeakPolarHBondContact CA-O 3.43Å
17G84.5Confident85.1Confident49 Ų4942.3 Ų42.351%0.50525%0.254SS..THydrogen-bonded Turntrans103.5-20.7178.100000114.5F15F15-G17 PolarHBondContact O-N 3.08Å
18E91.7Very high87.5Confident59 Ų5943.7 Ų43.728%0.27625%0.253SS..  trans-67142.9176.5-67.6-53.2134.800111.8F15 C48 R49 M327F15-E18 HydrophobicContact CB-CG 4.35Å; F15-E18 PolarHBondContact O-N 2.85Å; E18-C48 CarbonylContact O-C 3.54Å; E18-C48 WeakPolarHBondContact O-CA 3.41Å; E18-C48 WeakPolarHBondContact O-CB 3.1Å; E18-R49 PolarHBondContact O-N 3.04Å; E18-M327 HydrophobicContact CB-CE 4.35Å; E18-M327 HydrophobicContact CB-SD 4.12Å; E18-M327 HydrophobicContact CG-SD 4.17Å
19C95.9Very high89.2Confident4 Ų439.8 Ų39.83%0.02724%0.236CC..EExtended strand (participates in β ladder)trans-112.1124.3-179.3-68.40000111.1R49 F51 Q111 I112 N114C19-R49 WeakPolarHBondContact CA-O 3.4Å; C19-F51 HydrophobicContact CB-CE2 4.28Å; C19-Q111 VanDerWaalsContact CB-O 3.26Å; C19-Q111 WeakPolarHBondContact CB-O 3.31Å; C19-I112 HydrophobicContact CB-CG1 4.41Å; C19-N114 WeakPolarHBondContact O-CB 3.4Å; C19-N114 PolarHBondContact O-N 2.82Å; C19-N114 PolarHBondContact O-ND2 2.76Å
20I97.5Very high90.6Very high0 Ų033 Ų330%021%0.21CC..EExtended strand (participates in β ladder)trans-115.8138.1177.6-59172.6000108.6V39 C48 R49 V50 F51 N114 V116 V323 L326 M327I20-V39 HydrophobicContact CG2-CG1 4.22Å; I20-C48 HydrophobicContact CD1-CB 3.83Å; I20-C48 HydrophobicContact CG1-CB 4.17Å; I20-R49 PolarHBondContact N-O 3.12Å; I20-V50 CarbonylContact O-C 3.51Å; I20-V50 VanDerWaalsContact O-CA 3.24Å; I20-V50 WeakPolarHBondContact O-CA 3.38Å; I20-F51 PolarHBondContact O-N 2.94Å; I20-N114 CarbonylContact C-O 3.45Å; I20-N114 WeakPolarHBondContact CA-O 3.3Å; I20-N114 HydrophobicContact CB-CB 4.49Å; I20-N114 HydrophobicContact CG1-CB 4Å; I20-V116 HydrophobicContact CG2-CG2 4.24Å; I20-V323 HydrophobicContact CD1-CG1 3.82Å; I20-V323 HydrophobicContact CD1-CG2 4.3Å; I20-L326 HydrophobicContact CG2-CD1 3.98Å; I20-M327 HydrophobicContact CD1-CE 3.85Å; I20-M327 HydrophobicContact CG1-CE 3.97Å
21A98.3Very high91.9Very high0 Ų032.6 Ų32.60%021%0.207CC..EExtended strand (participates in β ladder)trans-117.914916600000111.6F51 I53 I112 N114 L115 V116A21-F51 CarbonylContact C-O 3.45Å; A21-F51 VanDerWaalsContact CA-O 3.28Å; A21-F51 WeakPolarHBondContact CA-O 3.35Å; A21-F51 HydrophobicContact CB-CB 4.11Å; A21-I53 HydrophobicContact CB-CD1 3.57Å; A21-I53 HydrophobicContact CB-CG1 4.08Å; A21-I112 HydrophobicContact CB-CD1 4.04Å; A21-I112 HydrophobicContact CB-CG2 3.65Å; A21-N114 PolarHBondContact N-O 2.9Å; A21-L115 HydrophobicContact CB-CD1 3.95Å; A21-L115 WeakPolarHBondContact O-CA 3.31Å; A21-V116 PolarHBondContact O-N 3.05Å
22V98.6Very high92.9Very high0 Ų030.3 Ų30.30%019%0.189CC..EExtended strand (participates in β ladder)trans-124.6133.1174.862.80000110.3V36 V39 V40 F51 F52 I53 V116 I118V22-V36 HydrophobicContact CG1-CG1 4.27Å; V22-V36 HydrophobicContact CG2-CG2 4.19Å; V22-V39 HydrophobicContact CB-CG1 3.99Å; V22-V39 HydrophobicContact CG1-CG1 4.49Å; V22-V39 HydrophobicContact CG2-CB 4.46Å; V22-V39 HydrophobicContact CG2-CG1 4.33Å; V22-V39 HydrophobicContact CG2-CG2 4.48Å; V22-V40 HydrophobicContact CG1-CG2 4.48Å; V22-F51 PolarHBondContact N-O 3.39Å; V22-F52 HydrophobicContact CG1-CD1 3.94Å; V22-F52 HydrophobicContact CG1-CE1 4.41Å; V22-I53 PolarHBondContact O-N 2.93Å; V22-V116 WeakPolarHBondContact CA-O 3.12Å; V22-V116 HydrophobicContact CB-CB 4.37Å; V22-V116 HydrophobicContact CG2-CB 4.19Å; V22-V116 HydrophobicContact CG2-CG1 4.33Å; V22-I118 HydrophobicContact CG2-CD1 3.79Å; V22-I118 HydrophobicContact CG2-CG1 4.19Å
23L98Very high93.7Very high0 Ų023.9 Ų23.90%016%0.164CC..EExtended strand (participates in β ladder)trans-130.7149.1174.37879.6000110.5I53 Y57 L60 L115 V116 V117 I118L23-I53 HydrophobicContact CB-CB 3.72Å; L23-I53 HydrophobicContact CB-CD1 4.08Å; L23-I53 HydrophobicContact CB-CG2 3.95Å; L23-I53 HydrophobicContact CD2-CD1 4.08Å; L23-I53 HydrophobicContact CD2-CG2 4.41Å; L23-Y57 HydrophobicContact CD2-CD1 4.21Å; L23-Y57 HydrophobicContact CD2-CE1 4.08Å; L23-L60 HydrophobicContact CD2-CD2 4.28Å; L23-L115 HydrophobicContact CD2-CD1 4.16Å; L23-L115 HydrophobicContact CD2-CD2 4.43Å; L23-V116 PolarHBondContact N-O 2.75Å; L23-V117 HydrophobicContact CD1-CG1 3.94Å; L23-V117 HydrophobicContact CD1-CG2 4.48Å; L23-V117 HydrophobicContact CD2-CG2 4.39Å; L23-V117 HydrophobicContact CG-CG2 4.25Å; L23-I118 PolarHBondContact O-N 3.31Å
24T97.8Very high94.3Very high0 Ų022.6 Ų22.60%015%0.151CC..EExtended strand (participates in β ladder)trans-112.4127.6168.550.50000108.9M32 V36 G56 T84 I86 G87 I118T24-M32 HydrophobicContact CG2-CB 4.29Å; T24-M32 HydrophobicContact CG2-SD 4.2Å; T24-V36 HydrophobicContact CG2-CG2 3.8Å; T24-G56 WeakPolarHBondContact O-CA 3.28Å; T24-G56 PolarHBondContact O-N 2.57Å; T24-T84 WeakPolarHBondContact CG2-OG1 3.42Å; T24-T84 WeakPolarHBondContact OG1-CB 3.36Å; T24-T84 WeakPolarHBondContact OG1-CG2 3.35Å; T24-T84 PolarHBondContact OG1-OG1 3.29Å; T24-I86 HydrophobicContact CG2-CD1 4.04Å; T24-I86 HydrophobicContact CG2-CG1 4.18Å; T24-I86 WeakPolarHBondContact OG1-CG1 3.27Å; T24-G87 PolarHBondContact OG1-O 3.02Å; T24-I118 CarbonylContact C-O 3.47Å; T24-I118 VanDerWaalsContact CA-O 3.26Å; T24-I118 WeakPolarHBondContact CA-O 3.15Å; T24-I118 HydrophobicContact CG2-CB 3.87Å; T24-I118 HydrophobicContact CG2-CD1 4.23Å; T24-I118 HydrophobicContact CG2-CG1 4.45Å; T24-I118 HydrophobicContact CG2-CG2 4.32Å
25S95.1Very high94.9Very high9 Ų918.8 Ų18.86%0.06313%0.134CC..EExtended strand (participates in β ladder)trans-137.7143-175.1169.90000111.6Y57 S88 I118 G119 S123S25-Y57 VanDerWaalsContact OG-CD2 3.23Å; S25-Y57 WeakPolarHBondContact OG-CD2 3.31Å; S25-Y57 WeakPolarHBondContact OG-CE2 3.47Å; S25-S88 WeakPolarHBondContact CA-OG 3.28Å; S25-I118 PolarHBondContact N-O 2.68Å; S25-G119 WeakPolarHBondContact O-CA 3.2Å; S25-S123 VanDerWaalsContact CB-OG 3.26Å; S25-S123 WeakPolarHBondContact CB-OG 3.21Å; S25-S123 PolarHBondContact O-OG 3.33Å; S25-S123 PolarHBondContact OG-OG 3.33Å
26G91.1Very high95.4Very high39 Ų3917.9 Ų17.940%0.40213%0.129SC..SBendtrans99-156.4-17900000112.4S88G26-S88 PolarHBondContact N-OG 3.3Å; G26-S88 PolarHBondContact O-OG 3.26Å
27G91.5Very high95.9Very high42 Ų4213 Ų1343%0.43310%0.098SC..SBendtrans-66.6137172.100000110M32G27-M32 VanDerWaalsContact O-CE 3.29Å; G27-M32 WeakPolarHBondContact O-CE 3.48Å
28D94.2Very high96.5Very high60 Ų6010.6 Ų10.632%0.3217%0.074SC..  trans-70152.2174.866.7-50.7000111.1G83 R303D28-G83 WeakPolarHBondContact OD2-CA 3.11Å; D28-R303 WeakPolarHBondContact O-CD 3.48Å
29A96Very high96.8Very high0 Ų07.8 Ų7.80%06%0.061CC..  trans-142.2142.1178.100000109.3G31 M32 I167 I178A29-G31 PolarHBondContact O-N 3.45Å; A29-M32 HydrophobicContact CB-CE 4.04Å; A29-M32 HydrophobicContact CB-CG 4.43Å; A29-M32 VanDerWaalsContact O-CG 3.32Å; A29-M32 WeakPolarHBondContact O-CG 3.06Å; A29-M32 PolarHBondContact O-N 3.41Å; A29-I167 HydrophobicContact CB-CG2 4.11Å; A29-I178 WeakPolarHBondContact CB-O 3.46Å
30Q97.2Very high96.9Very high0 Ų07.6 Ų7.60%06%0.06CC..THydrogen-bonded Turntrans-62.4131.6178.6-51.489.6-37.800109.1G179 Q302 R303 G304 G305 P307Q30-G179 WeakPolarHBondContact O-CA 3.34Å; Q30-G179 PolarHBondContact O-N 2.88Å; Q30-Q302 PolarHBondContact NE2-O 3.43Å; Q30-R303 VanDerWaalsContact CD-C 3.48Å; Q30-R303 WeakPolarHBondContact CG-O 3.35Å; Q30-R303 PolarHBondContact NE2-O 3.21Å; Q30-R303 PolarHBondContact OE1-O 3.21Å; Q30-G304 PolarHBondContact NE2-O 3.17Å; Q30-G305 WeakPolarHBondContact CG-O 3.33Å; Q30-P307 HydrophobicContact CB-CB 3.91Å
31G97Very high96.8Very high0 Ų08.5 Ų8.50%06%0.063CC..THydrogen-bonded Turntrans103.3-13.4-176.200000114.2A29 N33 A34 A35 I178A29-G31 PolarHBondContact O-N 3.45Å; G31-N33 PolarHBondContact O-N 2.94Å; G31-A34 WeakPolarHBondContact O-CA 3.49Å; G31-A34 VanDerWaalsContact O-CB 3.25Å; G31-A34 WeakPolarHBondContact O-CB 3.21Å; G31-A34 PolarHBondContact O-N 3.19Å; G31-A35 PolarHBondContact O-N 2.78Å; G31-I178 VanDerWaalsContact C-CG2 3.44Å
32M97.9Very high96.7Very high0 Ų08.5 Ų8.50%06%0.063CC..Hα-helixtrans-55.2-39.5171.2-75.5-174.7173.800112T24 G27 A29 A34 A35 V36 I118 G165T24-M32 HydrophobicContact CG2-CB 4.29Å; T24-M32 HydrophobicContact CG2-SD 4.2Å; G27-M32 VanDerWaalsContact O-CE 3.29Å; G27-M32 WeakPolarHBondContact O-CE 3.48Å; A29-M32 HydrophobicContact CB-CE 4.04Å; A29-M32 HydrophobicContact CB-CG 4.43Å; A29-M32 VanDerWaalsContact O-CG 3.32Å; A29-M32 WeakPolarHBondContact O-CG 3.06Å; A29-M32 PolarHBondContact O-N 3.41Å; M32-A34 VanDerWaalsContact C-N 3.28Å; M32-A34 PolarHBondContact O-N 3.33Å; M32-A35 PolarHBondContact O-N 3.31Å; M32-V36 WeakPolarHBondContact O-CG2 3.34Å; M32-V36 PolarHBondContact O-N 3.25Å; M32-I118 HydrophobicContact CG-CG2 4.03Å; M32-G165 VanDerWaalsContact CE-O 3.27Å; M32-G165 WeakPolarHBondContact CE-O 3.4Å
33N98.2Very high96.6Very high2 Ų28.5 Ų8.51%0.0116%0.063CC..Hα-helixtrans-61.8-32.7174.3-72.6-40000113.7G31 R37 I78 L81 G82 G83 T84 K85G31-N33 PolarHBondContact O-N 2.94Å; N33-R37 WeakPolarHBondContact O-CB 3.42Å; N33-R37 PolarHBondContact O-N 2.95Å; N33-I78 HydrophobicContact CB-CB 4.27Å; N33-I78 HydrophobicContact CB-CD1 4.28Å; N33-I78 HydrophobicContact CB-CG1 4.2Å; N33-I78 VanDerWaalsContact CB-O 3.24Å; N33-I78 WeakPolarHBondContact CB-O 3.39Å; N33-L81 PolarHBondContact ND2-O 2.94Å; N33-G82 PolarHBondContact ND2-O 2.82Å; N33-G83 PolarHBondContact ND2-O 3.4Å; N33-T84 WeakPolarHBondContact OD1-CA 3.32Å; N33-K85 WeakPolarHBondContact OD1-CB 3.34Å; N33-K85 PolarHBondContact OD1-N 3.43Å
34A98Very high96.5Very high0 Ų011.2 Ų11.20%08%0.077CC..Hα-helixtrans-67.1-43.7175.900000110.7G31 M32 R37 A38 L79 R312G31-A34 WeakPolarHBondContact O-CA 3.49Å; G31-A34 VanDerWaalsContact O-CB 3.25Å; G31-A34 WeakPolarHBondContact O-CB 3.21Å; G31-A34 PolarHBondContact O-N 3.19Å; M32-A34 VanDerWaalsContact C-N 3.28Å; M32-A34 PolarHBondContact O-N 3.33Å; A34-R37 WeakPolarHBondContact O-CB 3.45Å; A34-R37 PolarHBondContact O-N 2.99Å; A34-A38 PolarHBondContact O-N 2.64Å; A34-L79 HydrophobicContact CB-CD1 3.51Å; A34-R312 WeakPolarHBondContact CB-O 3.35Å
35A98.2Very high96.3Very high0 Ų011.9 Ų11.90%08%0.08CC..Hα-helixtrans-64.6-47.817500000112.8G31 M32 R37 A38 V39 I118 L163 I178 G315G31-A35 PolarHBondContact O-N 2.78Å; M32-A35 PolarHBondContact O-N 3.31Å; A35-R37 VanDerWaalsContact C-N 3.28Å; A35-R37 PolarHBondContact O-N 2.73Å; A35-A38 PolarHBondContact O-N 3.12Å; A35-A38 VanDerWaalsContact O-N 3.16Å; A35-V39 WeakPolarHBondContact O-CG2 3.32Å; A35-V39 PolarHBondContact O-N 2.61Å; A35-I118 HydrophobicContact CB-CD1 3.73Å; A35-L163 HydrophobicContact CB-CD1 3.94Å; A35-I178 HydrophobicContact CB-CD1 4.1Å; A35-G315 WeakPolarHBondContact CA-O 3.32Å
36V98.5Very high96.2Very high0 Ų011.4 Ų11.40%08%0.077CC..Hα-helixtrans-56.4-44.8173.8172.40000110.8V22 T24 M32 A38 V39 V40 F52 I86 I118V22-V36 HydrophobicContact CG1-CG1 4.27Å; V22-V36 HydrophobicContact CG2-CG2 4.19Å; T24-V36 HydrophobicContact CG2-CG2 3.8Å; M32-V36 WeakPolarHBondContact O-CG2 3.34Å; M32-V36 PolarHBondContact O-N 3.25Å; V36-A38 PolarHBondContact O-N 3.27Å; V36-V39 PolarHBondContact O-N 3.23Å; V36-V40 WeakPolarHBondContact O-CG2 3.46Å; V36-V40 PolarHBondContact O-N 2.98Å; V36-V40 VanDerWaalsContact O-N 3.09Å; V36-F52 HydrophobicContact CG1-CD1 4.23Å; V36-F52 HydrophobicContact CG1-CE1 3.67Å; V36-I86 HydrophobicContact CG2-CD1 4.03Å; V36-I118 HydrophobicContact CG2-CD1 3.74Å
37R98.2Very high96.3Very high8 Ų810.6 Ų10.63%0.037%0.068CC..Hα-helixtrans-59-46177.2173.7177.6171.8-84.82.6111.8N33 A34 A35 V40 R41 V75 I78 M762N33-R37 WeakPolarHBondContact O-CB 3.42Å; N33-R37 PolarHBondContact O-N 2.95Å; A34-R37 WeakPolarHBondContact O-CB 3.45Å; A34-R37 PolarHBondContact O-N 2.99Å; A35-R37 VanDerWaalsContact C-N 3.28Å; A35-R37 PolarHBondContact O-N 2.73Å; R37-V40 PolarHBondContact O-N 3.11Å; R37-R41 HydrophobicContact CG-CG 4.47Å; R37-R41 WeakPolarHBondContact O-CB 3.31Å; R37-R41 WeakPolarHBondContact O-CG 3.21Å; R37-R41 PolarHBondContact O-N 3.31Å; R37-V75 HydrophobicContact CB-CB 4.01Å; R37-V75 HydrophobicContact CB-CG2 4.43Å; R37-V75 HydrophobicContact CG-CB 3.98Å; R37-V75 HydrophobicContact CG-CG2 3.97Å; R37-I78 HydrophobicContact CB-CD1 4.14Å; R37-I78 HydrophobicContact CB-CG1 4.16Å; R37-M762 PolarHBondContact NH2-O 3.35Å
38A97.8Very high96.4Very high0 Ų08.9 Ų8.90%05%0.049CC..Hα-helixtrans-68.8-40.2-178.400000112.6A34 A35 V36 V40 R41 M42 S316 M762A34-A38 PolarHBondContact O-N 2.64Å; A35-A38 PolarHBondContact O-N 3.12Å; A35-A38 VanDerWaalsContact O-N 3.16Å; V36-A38 PolarHBondContact O-N 3.27Å; A38-V40 VanDerWaalsContact C-N 3.34Å; A38-V40 PolarHBondContact O-N 3.48Å; A38-R41 PolarHBondContact O-N 3.43Å; A38-M42 WeakPolarHBondContact O-CB 3.47Å; A38-M42 PolarHBondContact O-N 2.86Å; A38-S316 WeakPolarHBondContact CB-O 3.24Å; A38-M762 HydrophobicContact CB-CE 4.49Å; A38-M762 HydrophobicContact CB-SD 4.13Å
39V98.2Very high96.6Very high0 Ų010.3 Ų10.30%05%0.05CC..Hα-helixtrans-58.7-46.7174.6174.10000111I20 V22 A35 V36 G43 V116 G319 V323I20-V39 HydrophobicContact CG2-CG1 4.22Å; V22-V39 HydrophobicContact CB-CG1 3.99Å; V22-V39 HydrophobicContact CG1-CG1 4.49Å; V22-V39 HydrophobicContact CG2-CB 4.46Å; V22-V39 HydrophobicContact CG2-CG1 4.33Å; V22-V39 HydrophobicContact CG2-CG2 4.48Å; A35-V39 WeakPolarHBondContact O-CG2 3.32Å; A35-V39 PolarHBondContact O-N 2.61Å; V36-V39 PolarHBondContact O-N 3.23Å; V39-G43 PolarHBondContact O-N 2.89Å; V39-V116 HydrophobicContact CG1-CB 4.37Å; V39-V116 HydrophobicContact CG1-CG2 3.89Å; V39-V116 HydrophobicContact CG2-CB 4.42Å; V39-V116 HydrophobicContact CG2-CG1 4Å; V39-V116 HydrophobicContact CG2-CG2 4.22Å; V39-G319 WeakPolarHBondContact CG2-O 3.23Å; V39-V323 HydrophobicContact CB-CG2 4.36Å; V39-V323 HydrophobicContact CG1-CG2 4.01Å; V39-V323 WeakPolarHBondContact O-CG2 3.47Å
40V98Very high96.7Very high0 Ų010.4 Ų10.40%05%0.051CC..Hα-helixtrans-64.1-49.4178.3173.10000111.7V22 V36 R37 A38 I44 V50 F52 A70 V75V22-V40 HydrophobicContact CG1-CG2 4.48Å; V36-V40 WeakPolarHBondContact O-CG2 3.46Å; V36-V40 PolarHBondContact O-N 2.98Å; V36-V40 VanDerWaalsContact O-N 3.09Å; R37-V40 PolarHBondContact O-N 3.11Å; A38-V40 VanDerWaalsContact C-N 3.34Å; A38-V40 PolarHBondContact O-N 3.48Å; V40-I44 HydrophobicContact CG1-CD1 3.73Å; V40-I44 WeakPolarHBondContact O-CB 3.47Å; V40-I44 VanDerWaalsContact O-CG1 3.26Å; V40-I44 WeakPolarHBondContact O-CG1 3.32Å; V40-I44 PolarHBondContact O-N 2.83Å; V40-V50 HydrophobicContact CB-CG1 4.44Å; V40-V50 HydrophobicContact CG2-CG1 3.89Å; V40-F52 HydrophobicContact CG2-CD1 4.38Å; V40-F52 HydrophobicContact CG2-CE1 3.53Å; V40-F52 HydrophobicContact CG2-CZ 3.96Å; V40-A70 HydrophobicContact CG1-CB 4.01Å; V40-A70 HydrophobicContact CG2-CB 4.04Å; V40-V75 HydrophobicContact CB-CG1 3.81Å; V40-V75 HydrophobicContact CB-CG2 4.13Å; V40-V75 HydrophobicContact CG1-CG1 3.97Å; V40-V75 HydrophobicContact CG1-CG2 3.94Å; V40-V75 HydrophobicContact CG2-CG1 3.8Å
41R96.4Very high96.8Very high19 Ų1910.8 Ų10.87%0.0725%0.052CC..Hα-helixtrans-67.6-43.1-176.6-72.9-170.8174.7-159.3-6.2112.1R37 A38 Y45 W72 V75 S76 M762R37-R41 HydrophobicContact CG-CG 4.47Å; R37-R41 WeakPolarHBondContact O-CB 3.31Å; R37-R41 WeakPolarHBondContact O-CG 3.21Å; R37-R41 PolarHBondContact O-N 3.31Å; A38-R41 PolarHBondContact O-N 3.43Å; R41-Y45 VanDerWaalsContact O-CB 3.26Å; R41-Y45 WeakPolarHBondContact O-CB 3.23Å; R41-Y45 PolarHBondContact O-N 3.44Å; R41-W72 HydrophobicContact CB-CE3 4.23Å; R41-W72 HydrophobicContact CB-CH2 3.63Å; R41-W72 HydrophobicContact CB-CZ2 4.39Å; R41-W72 HydrophobicContact CB-CZ3 3.56Å; R41-W72 VanDerWaalsContact CD-CZ2 3.49Å; R41-W72 HydrophobicContact CG-CD2 4.15Å; R41-W72 HydrophobicContact CG-CE3 3.89Å; R41-W72 HydrophobicContact CG-CH2 3.6Å; R41-W72 HydrophobicContact CG-CZ2 3.88Å; R41-W72 HydrophobicContact CG-CZ3 3.63Å; R41-W72 WeakPolarHBondContact O-CZ3 3.48Å; R41-V75 HydrophobicContact CG-CG2 3.8Å; R41-S76 PolarHBondContact NH2-OG 3.15Å; R41-M762 HydrophobicContact CB-CE 3.88Å; R41-M762 HydrophobicContact CB-SD 3.66Å; R41-M762 VanDerWaalsContact CD-O 3.31Å; R41-M762 WeakPolarHBondContact CD-O 3.34Å; R41-M762 HydrophobicContact CG-SD 4.43Å; R41-M762 PolarHBondContact NH1-O 3.47Å
42M95.8Very high96.8Very high0 Ų011 Ų110%05%0.053CC..Hα-helixtrans-68.3-41.5177.9-173.258.9101.400111.1A38 I44 Y45 C46 A320 V323 L758 I761 M762 Y769A38-M42 WeakPolarHBondContact O-CB 3.47Å; A38-M42 PolarHBondContact O-N 2.86Å; M42-I44 PolarHBondContact O-N 2.87Å; M42-Y45 WeakPolarHBondContact O-CB 3.44Å; M42-Y45 PolarHBondContact O-N 2.86Å; M42-Y45 HydrophobicContact SD-CD1 3.86Å; M42-C46 WeakPolarHBondContact O-CB 3.48Å; M42-C46 PolarHBondContact O-N 3.45Å; M42-C46 PolarHBondContact O-SG 2.88Å; M42-A320 HydrophobicContact CB-CB 4.32Å; M42-A320 HydrophobicContact CE-CB 3.7Å; M42-A320 HydrophobicContact CG-CB 4.27Å; M42-V323 HydrophobicContact CB-CB 4.22Å; M42-V323 HydrophobicContact CB-CG1 4.47Å; M42-V323 HydrophobicContact CB-CG2 4.07Å; M42-V323 HydrophobicContact CG-CB 3.87Å; M42-V323 HydrophobicContact CG-CG1 3.96Å; M42-V323 HydrophobicContact CG-CG2 4.28Å; M42-L758 HydrophobicContact CE-CD1 4.32Å; M42-I761 HydrophobicContact SD-CG2 4.28Å; M42-M762 HydrophobicContact CB-CE 4.01Å; M42-Y769 HydrophobicContact CE-CD1 3.67Å; M42-Y769 HydrophobicContact CE-CD2 3.66Å; M42-Y769 HydrophobicContact CE-CE1 3.83Å; M42-Y769 HydrophobicContact CE-CE2 3.83Å; M42-Y769 HydrophobicContact CE-CG 3.55Å
43G96.1Very high96.8Very high0 Ų011 Ų110%05%0.053CC..Hα-helixtrans-59-49175.100000112.4V39 Y45 C46 G47 C48V39-G43 PolarHBondContact O-N 2.89Å; G43-Y45 VanDerWaalsContact C-N 3.33Å; G43-Y45 PolarHBondContact O-N 3.44Å; G43-C46 CarbonylContact O-C 3.06Å; G43-C46 WeakPolarHBondContact O-CB 3.33Å; G43-C46 PolarHBondContact O-N 3.34Å; G43-G47 PolarHBondContact O-N 3.42Å; G43-G47 VanDerWaalsContact O-N 3.16Å; G43-C48 VanDerWaalsContact O-CB 3.31Å; G43-C48 WeakPolarHBondContact O-CB 3.45Å; G43-C48 PolarHBondContact O-N 3.47Å
44I95.3Very high96.8Very high56 Ų5614.4 Ų14.429%0.2877%0.066SC..Hα-helixtrans-62.7-41176.4-67.5169.3000111.3V40 M42 C46 G47 V50 W72V40-I44 HydrophobicContact CG1-CD1 3.73Å; V40-I44 WeakPolarHBondContact O-CB 3.47Å; V40-I44 VanDerWaalsContact O-CG1 3.26Å; V40-I44 WeakPolarHBondContact O-CG1 3.32Å; V40-I44 PolarHBondContact O-N 2.83Å; M42-I44 PolarHBondContact O-N 2.87Å; I44-C46 VanDerWaalsContact C-N 3.31Å; I44-C46 PolarHBondContact O-N 2.92Å; I44-G47 PolarHBondContact O-N 3.2Å; I44-V50 HydrophobicContact CG1-CG2 4.24Å; I44-W72 HydrophobicContact CB-CE3 4.4Å; I44-W72 HydrophobicContact CD1-CB 4.44Å; I44-W72 HydrophobicContact CG2-CE3 4.19Å
45Y93.5Very high96.7Very high14 Ų1418.3 Ų18.36%0.0558%0.084CC..Hα-helixtrans-59.7-43.2176173.2-99.4000111.6R12 G13 R41 M42 G43 G47 I761 S767R12-Y45 WeakPolarHBondContact CA-O 3.42Å; R12-Y45 HydrophobicContact CB-CD2 4.25Å; R12-Y45 HydrophobicContact CB-CE2 3.61Å; R12-Y45 HydrophobicContact CG-CD2 4.02Å; R12-Y45 HydrophobicContact CG-CE2 3.84Å; R12-Y45 WeakPolarHBondContact CG-O 3.27Å; R12-Y45 PolarHBondContact N-OH 3.25Å; G13-Y45 PolarHBondContact N-O 3.4Å; R41-Y45 VanDerWaalsContact O-CB 3.26Å; R41-Y45 WeakPolarHBondContact O-CB 3.23Å; R41-Y45 PolarHBondContact O-N 3.44Å; M42-Y45 WeakPolarHBondContact O-CB 3.44Å; M42-Y45 PolarHBondContact O-N 2.86Å; M42-Y45 HydrophobicContact SD-CD1 3.86Å; G43-Y45 VanDerWaalsContact C-N 3.33Å; G43-Y45 PolarHBondContact O-N 3.44Å; Y45-G47 PolarHBondContact O-N 2.85Å; Y45-I761 HydrophobicContact CD1-CD1 4.32Å; Y45-I761 HydrophobicContact CD1-CG2 3.83Å; Y45-I761 HydrophobicContact CD2-CG1 4.38Å; Y45-I761 HydrophobicContact CD2-CG2 3.8Å; Y45-I761 HydrophobicContact CE1-CD1 3.89Å; Y45-I761 HydrophobicContact CE1-CG1 4.3Å; Y45-I761 HydrophobicContact CE1-CG2 4.38Å; Y45-I761 HydrophobicContact CE2-CG1 4.11Å; Y45-I761 HydrophobicContact CE2-CG2 4.37Å; Y45-I761 HydrophobicContact CG-CG2 3.52Å; Y45-S767 PolarHBondContact OH-O 3.34Å
46C92.5Very high96.7Very high0 Ų018.3 Ų18.30%08%0.084CC..Hα-helixtrans-66.9-11.3173.8-74.20000113.9G13 Q14 F15 M42 G43 I44G13-C46 CarbonylContact C-O 3.59Å; G13-C46 VanDerWaalsContact CA-O 3.29Å; G13-C46 WeakPolarHBondContact CA-O 3.45Å; Q14-C46 PolarHBondContact N-O 3.25Å; F15-C46 CarbonylContact C-O 3.58Å; F15-C46 WeakPolarHBondContact CA-O 3.33Å; F15-C46 HydrophobicContact CB-CB 4.45Å; F15-C46 HydrophobicContact CD2-CB 3.85Å; F15-C46 PolarHBondContact N-O 3.22Å; M42-C46 WeakPolarHBondContact O-CB 3.48Å; M42-C46 PolarHBondContact O-N 3.45Å; M42-C46 PolarHBondContact O-SG 2.88Å; G43-C46 CarbonylContact O-C 3.06Å; G43-C46 WeakPolarHBondContact O-CB 3.33Å; G43-C46 PolarHBondContact O-N 3.34Å; I44-C46 VanDerWaalsContact C-N 3.31Å; I44-C46 PolarHBondContact O-N 2.92Å
47G93Very high96.6Very high21 Ų2118.9 Ų18.922%0.2169%0.086CC..THydrogen-bonded Turntrans91.21.7-176.800000114.4T16 G43 I44 Y45T16-G47 WeakPolarHBondContact CA-O 3.43Å; G43-G47 PolarHBondContact O-N 3.42Å; G43-G47 VanDerWaalsContact O-N 3.16Å; I44-G47 PolarHBondContact O-N 3.2Å; Y45-G47 PolarHBondContact O-N 2.85Å
48C95.6Very high96.5Very high6 Ų620.3 Ų20.34%0.0419%0.094CC..  trans-71.4152.5177.4-49.80000111.2E18 I20 G43 M327E18-C48 CarbonylContact O-C 3.54Å; E18-C48 WeakPolarHBondContact O-CA 3.41Å; E18-C48 WeakPolarHBondContact O-CB 3.1Å; I20-C48 HydrophobicContact CD1-CB 3.83Å; I20-C48 HydrophobicContact CG1-CB 4.17Å; G43-C48 VanDerWaalsContact O-CB 3.31Å; G43-C48 WeakPolarHBondContact O-CB 3.45Å; G43-C48 PolarHBondContact O-N 3.47Å; C48-M327 VanDerWaalsContact SG-SD 3.66Å
49R97.2Very high96.5Very high91 Ų9120.3 Ų20.334%0.3439%0.094SC..EExtended strand (participates in β ladder)trans-85.3125.1163.1-64.617465.1-152.10.8108.4E18 C19 I20 F51 E69E18-R49 PolarHBondContact O-N 3.04Å; C19-R49 WeakPolarHBondContact CA-O 3.4Å; I20-R49 PolarHBondContact N-O 3.12Å; R49-F51 HydrophobicContact CB-CE2 4.03Å; R49-E69 WeakPolarHBondContact CG-OE1 3.46Å; R49-E69 IonicContact CZ-OE1 3.19Å; R49-E69 IonicContact CZ-OE2 3.46Å; R49-E69 IonicContact NE-OE1 3.19Å; R49-E69 PolarHBondContact NE-OE1 2.75Å; R49-E69 IonicContact NE-OE2 3.23Å; R49-E69 IonicContact NH2-OE1 2.93Å; R49-E69 IonicContact NH2-OE2 2.76Å; R49-E69 PolarHBondContact NH2-OE2 2.76Å
50V98Very high96.5Very high1 Ų120.3 Ų20.31%0.0069%0.094CC..EExtended strand (participates in β ladder)trans-110.9136.6-176.7-168.30000110.2I20 V40 I44 A70I20-V50 CarbonylContact O-C 3.51Å; I20-V50 VanDerWaalsContact O-CA 3.24Å; I20-V50 WeakPolarHBondContact O-CA 3.38Å; V40-V50 HydrophobicContact CB-CG1 4.44Å; V40-V50 HydrophobicContact CG2-CG1 3.89Å; I44-V50 HydrophobicContact CG1-CG2 4.24Å; V50-A70 WeakPolarHBondContact O-CB 3.45Å; V50-A70 PolarHBondContact O-N 2.8Å
51F98.5Very high96.5Very high8 Ų820.6 Ų20.64%0.03510%0.095CC..EExtended strand (participates in β ladder)trans-119.4137.9-179.6-66.2-99.6000111.5C19 I20 A21 V22 R49 I67 Q68 E69 I112C19-F51 HydrophobicContact CB-CE2 4.28Å; I20-F51 PolarHBondContact O-N 2.94Å; A21-F51 CarbonylContact C-O 3.45Å; A21-F51 VanDerWaalsContact CA-O 3.28Å; A21-F51 WeakPolarHBondContact CA-O 3.35Å; A21-F51 HydrophobicContact CB-CB 4.11Å; V22-F51 PolarHBondContact N-O 3.39Å; R49-F51 HydrophobicContact CB-CE2 4.03Å; F51-I67 HydrophobicContact CB-CG2 4.31Å; F51-I67 HydrophobicContact CD1-CG2 4.1Å; F51-Q68 CarbonylContact C-O 3.55Å; F51-Q68 VanDerWaalsContact CA-O 3.25Å; F51-Q68 WeakPolarHBondContact CA-O 3.46Å; F51-E69 HydrophobicContact CD1-CB 3.97Å; F51-E69 HydrophobicContact CE1-CB 3.74Å; F51-E69 HydrophobicContact CE1-CG 4.23Å; F51-E69 HydrophobicContact CZ-CB 4.29Å; F51-E69 HydrophobicContact CZ-CG 4.29Å; F51-I112 HydrophobicContact CB-CD1 4.15Å; F51-I112 HydrophobicContact CD1-CD1 4.47Å; F51-I112 HydrophobicContact CD2-CD1 4.14Å; F51-I112 HydrophobicContact CD2-CG1 4.03Å; F51-I112 HydrophobicContact CE2-CG1 4.33Å; F51-I112 HydrophobicContact CG-CD1 4.01Å; F51-I112 HydrophobicContact CG-CG1 4.42Å
52F98.4Very high96.5Very high4 Ų424 Ų242%0.01812%0.115CC..EExtended strand (participates in β ladder)trans-81.6134.9162.3-62.5-50.7000110.1V22 V36 V40 I67 Q68 A70 D74 V75 I86V22-F52 HydrophobicContact CG1-CD1 3.94Å; V22-F52 HydrophobicContact CG1-CE1 4.41Å; V36-F52 HydrophobicContact CG1-CD1 4.23Å; V36-F52 HydrophobicContact CG1-CE1 3.67Å; V40-F52 HydrophobicContact CG2-CD1 4.38Å; V40-F52 HydrophobicContact CG2-CE1 3.53Å; V40-F52 HydrophobicContact CG2-CZ 3.96Å; F52-I67 WeakPolarHBondContact O-CA 3.31Å; F52-Q68 PolarHBondContact N-O 2.86Å; F52-Q68 PolarHBondContact O-N 3.17Å; F52-A70 HydrophobicContact CD1-CB 4.29Å; F52-A70 HydrophobicContact CD2-CB 3.73Å; F52-A70 HydrophobicContact CE1-CB 4Å; F52-A70 HydrophobicContact CE2-CB 3.37Å; F52-A70 HydrophobicContact CG-CB 4.18Å; F52-A70 HydrophobicContact CZ-CB 3.53Å; F52-D74 HydrophobicContact CE2-CB 3.78Å; F52-D74 HydrophobicContact CZ-CB 4.09Å; F52-V75 HydrophobicContact CE1-CG1 4.03Å; F52-V75 HydrophobicContact CZ-CG1 3.64Å; F52-I86 HydrophobicContact CB-CG2 4.04Å; F52-I86 HydrophobicContact CD1-CG2 3.54Å; F52-I86 HydrophobicContact CE1-CG2 4.07Å; F52-I86 HydrophobicContact CG-CG2 3.8Å
53I98.3Very high96.5Very high0 Ų024.1 Ų24.10%012%0.116CC..EExtended strand (participates in β ladder)trans-106.6111.4161.8-63.2157.9000106.8A21 V22 L23 G56 L60 N66 I67 L115A21-I53 HydrophobicContact CB-CD1 3.57Å; A21-I53 HydrophobicContact CB-CG1 4.08Å; V22-I53 PolarHBondContact O-N 2.93Å; L23-I53 HydrophobicContact CB-CB 3.72Å; L23-I53 HydrophobicContact CB-CD1 4.08Å; L23-I53 HydrophobicContact CB-CG2 3.95Å; L23-I53 HydrophobicContact CD2-CD1 4.08Å; L23-I53 HydrophobicContact CD2-CG2 4.41Å; I53-G56 WeakPolarHBondContact CG2-O 3.32Å; I53-L60 HydrophobicContact CD1-CD1 3.85Å; I53-L60 HydrophobicContact CG1-CD1 4.37Å; I53-L60 HydrophobicContact CG2-CB 3.88Å; I53-L60 HydrophobicContact CG2-CD1 4.48Å; I53-N66 CarbonylContact C-O 3.46Å; I53-N66 WeakPolarHBondContact CA-O 3.45Å; I53-I67 HydrophobicContact CG1-CG1 4.39Å; I53-L115 HydrophobicContact CD1-CD1 3.49Å; I53-L115 VanDerWaalsContact CD1-CD1 3.49Å
54R97.5Very high96.4Very high74 Ų7427 Ų2728%0.27915%0.146SC..THydrogen-bonded Turntrans-77154.4-179.6-65.6-177.4177-96.42.5111.5G56 G59 N66 Q68 I86R54-G56 PolarHBondContact O-N 3.28Å; R54-G56 VanDerWaalsContact O-N 3.12Å; R54-G59 WeakPolarHBondContact O-CA 3.3Å; R54-G59 PolarHBondContact O-N 3.12Å; R54-N66 HydrophobicContact CB-CB 4.44Å; R54-N66 PolarHBondContact N-O 2.65Å; R54-Q68 VanDerWaalsContact NE-OE1 3.14Å; R54-I86 CarbonylContact C-O 3.55Å; R54-I86 WeakPolarHBondContact CA-O 3.38Å
55E96.7Very high96.4Very high82 Ų8232.3 Ų32.338%0.38317%0.17SC..THydrogen-bonded Turntrans55.631174.6-52.8-48.9133.400114.3Q58 I86 A89E55-Q58 WeakPolarHBondContact O-CB 3.33Å; E55-Q58 PolarHBondContact O-N 3.36Å; E55-I86 PolarHBondContact N-O 2.99Å; E55-A89 HydrophobicContact CB-CB 3.95Å; E55-A89 WeakPolarHBondContact O-CB 3.34Å; E55-A89 PolarHBondContact O-N 3.09Å
56G96.5Very high96.6Very high0 Ų033.6 Ų33.60%018%0.177CC..THydrogen-bonded Turntrans59.3-137.8176.700000113.7T24 I53 R54 Q58 G59 L60T24-G56 WeakPolarHBondContact O-CA 3.28Å; T24-G56 PolarHBondContact O-N 2.57Å; I53-G56 WeakPolarHBondContact CG2-O 3.32Å; R54-G56 PolarHBondContact O-N 3.28Å; R54-G56 VanDerWaalsContact O-N 3.12Å; G56-Q58 PolarHBondContact O-N 2.78Å; G56-G59 PolarHBondContact O-N 3.05Å; G56-L60 PolarHBondContact O-N 3.5Å
57Y97.3Very high96.8Very high12 Ų1234.2 Ų34.25%0.04718%0.18CC..Hα-helixtrans-62.5-25.4179-73.3-64.7000113.4L23 S25 L60 V61 F94 S123 A127L23-Y57 HydrophobicContact CD2-CD1 4.21Å; L23-Y57 HydrophobicContact CD2-CE1 4.08Å; S25-Y57 VanDerWaalsContact OG-CD2 3.23Å; S25-Y57 WeakPolarHBondContact OG-CD2 3.31Å; S25-Y57 WeakPolarHBondContact OG-CE2 3.47Å; Y57-L60 HydrophobicContact CD1-CD2 4.05Å; Y57-L60 HydrophobicContact CE1-CD2 4.41Å; Y57-L60 WeakPolarHBondContact O-CB 3.46Å; Y57-L60 PolarHBondContact O-N 3.41Å; Y57-V61 WeakPolarHBondContact O-CG2 3.21Å; Y57-V61 PolarHBondContact O-N 3.44Å; Y57-F94 AromaticContact CD1-CD1 3.63Å; Y57-F94 HydrophobicContact CD1-CD1 3.63Å; Y57-F94 AromaticContact CD1-CD2 3.95Å; Y57-F94 HydrophobicContact CD1-CD2 3.95Å; Y57-F94 AromaticContact CD1-CE1 3.43Å; Y57-F94 HydrophobicContact CD1-CE1 3.43Å; Y57-F94 VanDerWaalsContact CD1-CE1 3.43Å; Y57-F94 AromaticContact CD1-CE2 3.76Å; Y57-F94 HydrophobicContact CD1-CE2 3.76Å; Y57-F94 AromaticContact CD1-CG 3.88Å; Y57-F94 HydrophobicContact CD1-CG 3.88Å; Y57-F94 AromaticContact CD1-CZ 3.49Å; Y57-F94 HydrophobicContact CD1-CZ 3.49Å; Y57-F94 VanDerWaalsContact CD1-CZ 3.49Å; Y57-F94 HydrophobicContact CD2-CD1 4.36Å; Y57-F94 HydrophobicContact CE1-CD1 4.01Å; Y57-F94 AromaticContact CE1-CE1 3.4Å; Y57-F94 HydrophobicContact CE1-CE1 3.4Å; Y57-F94 HydrophobicContact CE1-CE2 4.24Å; Y57-F94 AromaticContact CE1-CZ 3.52Å; Y57-F94 HydrophobicContact CE1-CZ 3.52Å; Y57-F94 AromaticContact CG-CD1 3.84Å; Y57-F94 HydrophobicContact CG-CD1 3.84Å; Y57-F94 HydrophobicContact CG-CD2 4.43Å; Y57-F94 HydrophobicContact CG-CE1 4.09Å; Y57-F94 HydrophobicContact CG-CG 4.02Å; Y57-F94 HydrophobicContact CG-CZ 4.48Å; Y57-S123 PolarHBondContact OH-O 3.32Å; Y57-A127 WeakPolarHBondContact OH-CA 3.49Å; Y57-A127 WeakPolarHBondContact OH-CB 3.18Å; Y57-A127 PolarHBondContact OH-N 2.97Å
58Q96.9Very high97Very high39 Ų3936.5 Ų36.518%0.18219%0.186CC..Hα-helixtrans-65-48.4178.8-171.760.949.900110.5E55 G56 L60 V61 D62 A89 C91E55-Q58 WeakPolarHBondContact O-CB 3.33Å; E55-Q58 PolarHBondContact O-N 3.36Å; G56-Q58 PolarHBondContact O-N 2.78Å; Q58-L60 PolarHBondContact O-N 3.27Å; Q58-V61 PolarHBondContact O-N 3.41Å; Q58-V61 VanDerWaalsContact O-N 3.09Å; Q58-D62 PolarHBondContact NE2-OD1 2.82Å; Q58-D62 WeakPolarHBondContact O-CB 3.25Å; Q58-D62 PolarHBondContact O-N 2.84Å; Q58-A89 HydrophobicContact CB-CB 4.03Å; Q58-C91 HydrophobicContact CB-CB 4.18Å; Q58-C91 PolarHBondContact OE1-SG 3.01Å
59G97.3Very high97.1Very high0 Ų040.9 Ų40.90%021%0.206CC..Hα-helixtrans-68.2-24.7176.800000113.6R54 G56 G63 N66R54-G59 WeakPolarHBondContact O-CA 3.3Å; R54-G59 PolarHBondContact O-N 3.12Å; G56-G59 PolarHBondContact O-N 3.05Å; G59-G63 PolarHBondContact O-N 3.3Å; G59-N66 WeakPolarHBondContact O-CB 3.38Å
60L97.2Very high97.1Very high0 Ų037 Ų370%019%0.193CC..Hα-helixtrans-64.3-41.8169.8-172.360.1000111.9L23 I53 G56 Y57 Q58 I67 F94 A103 N106 L107 F130L23-L60 HydrophobicContact CD2-CD2 4.28Å; I53-L60 HydrophobicContact CD1-CD1 3.85Å; I53-L60 HydrophobicContact CG1-CD1 4.37Å; I53-L60 HydrophobicContact CG2-CB 3.88Å; I53-L60 HydrophobicContact CG2-CD1 4.48Å; G56-L60 PolarHBondContact O-N 3.5Å; Y57-L60 HydrophobicContact CD1-CD2 4.05Å; Y57-L60 HydrophobicContact CE1-CD2 4.41Å; Y57-L60 WeakPolarHBondContact O-CB 3.46Å; Y57-L60 PolarHBondContact O-N 3.41Å; Q58-L60 PolarHBondContact O-N 3.27Å; L60-I67 HydrophobicContact CD1-CD1 4.38Å; L60-F94 HydrophobicContact CD2-CE2 4.02Å; L60-F94 HydrophobicContact CD2-CZ 4.45Å; L60-A103 HydrophobicContact CD2-CB 3.89Å; L60-A103 HydrophobicContact CG-CB 3.66Å; L60-N106 PolarHBondContact O-ND2 2.89Å; L60-L107 HydrophobicContact CD1-CD1 4.25Å; L60-L107 HydrophobicContact CD1-CD2 3.65Å; L60-L107 HydrophobicContact CD1-CG 3.78Å; L60-F130 HydrophobicContact CD2-CE1 4.25Å
61V97.4Very high96.9Very high5 Ų539.4 Ų39.43%0.0321%0.21CC..Hα-helixtrans-70.6-44176.5174.10000111.4Y57 Q58 D93 F94 K102 A103 N106Y57-V61 WeakPolarHBondContact O-CG2 3.21Å; Y57-V61 PolarHBondContact O-N 3.44Å; Q58-V61 PolarHBondContact O-N 3.41Å; Q58-V61 VanDerWaalsContact O-N 3.09Å; V61-D93 HydrophobicContact CG1-CB 4.15Å; V61-F94 HydrophobicContact CG2-CB 4.21Å; V61-F94 HydrophobicContact CG2-CD2 3.8Å; V61-K102 HydrophobicContact CG1-CB 4.14Å; V61-K102 HydrophobicContact CG1-CD 4Å; V61-A103 HydrophobicContact CG2-CB 4.38Å; V61-N106 PolarHBondContact O-ND2 3.24Å
62D96.9Very high96.6Very high90 Ų9041 Ų4148%0.48122%0.215SC..Hα-helixtrans-69.3-35.7-176.9-66.8-13.9000112.1Q58 N66Q58-D62 PolarHBondContact NE2-OD1 2.82Å; Q58-D62 WeakPolarHBondContact O-CB 3.25Å; Q58-D62 PolarHBondContact O-N 2.84Å; D62-N66 VanDerWaalsContact CB-ND2 3.32Å; D62-N66 WeakPolarHBondContact CB-ND2 3.16Å
63G95.3Very high96.3Very high4 Ų442.3 Ų42.34%0.04123%0.227CC..  trans64.5-153.6-179.100000113.4G59 Q65 N66 N106G59-G63 PolarHBondContact O-N 3.3Å; G63-Q65 PolarHBondContact O-N 3.44Å; G63-N66 WeakPolarHBondContact O-CB 3.15Å; G63-N66 PolarHBondContact O-N 3.27Å; G63-N66 VanDerWaalsContact O-N 3.12Å; G63-N106 VanDerWaalsContact CA-ND2 3.31Å; G63-N106 WeakPolarHBondContact CA-ND2 3.32Å; G63-N106 PolarHBondContact N-ND2 3.3Å
64G94.9Very high96Very high60 Ų6045.3 Ų45.362%0.61924%0.243SC*.G310 helixtrans58.7-123.8176.900000112.8N66 I67G64-N66 PolarHBondContact O-N 2.97Å; G64-N66 VanDerWaalsContact O-N 3.11Å; G64-I67 PolarHBondContact O-N 3.21Å; G64-I67 VanDerWaalsContact O-N 3.13Å
65Q94.8Very high95.9Very high168 Ų16841.8 Ų41.879%0.78523%0.23SC*.G310 helixtrans-65.3-12.9-178.7-66.2-172.5-2.900113.8G63 I67 Q68G63-Q65 PolarHBondContact O-N 3.44Å; Q65-I67 VanDerWaalsContact C-N 3.3Å; Q65-Q68 WeakPolarHBondContact O-CG 3.3Å; Q65-Q68 PolarHBondContact O-NE2 3.41Å
66N97.3Very high95.7Very high41 Ų4139.4 Ų39.422%0.21922%0.222CC..G310 helixtrans-79.5-14.1176.3-67.1-39.7000113.1I53 R54 G59 D62 G63 G64I53-N66 CarbonylContact C-O 3.46Å; I53-N66 WeakPolarHBondContact CA-O 3.45Å; R54-N66 HydrophobicContact CB-CB 4.44Å; R54-N66 PolarHBondContact N-O 2.65Å; G59-N66 WeakPolarHBondContact O-CB 3.38Å; D62-N66 VanDerWaalsContact CB-ND2 3.32Å; D62-N66 WeakPolarHBondContact CB-ND2 3.16Å; G63-N66 WeakPolarHBondContact O-CB 3.15Å; G63-N66 PolarHBondContact O-N 3.27Å; G63-N66 VanDerWaalsContact O-N 3.12Å; G64-N66 PolarHBondContact O-N 2.97Å; G64-N66 VanDerWaalsContact O-N 3.11Å
67I98.1Very high95.3Very high12 Ų1240.4 Ų40.46%0.06223%0.233CC..EExtended strand (participates in β ladder)trans-111.2104.8175.2-55.3-179.7000108F51 F52 I53 L60 G64 Q65 N106 N110 I112F51-I67 HydrophobicContact CB-CG2 4.31Å; F51-I67 HydrophobicContact CD1-CG2 4.1Å; F52-I67 WeakPolarHBondContact O-CA 3.31Å; I53-I67 HydrophobicContact CG1-CG1 4.39Å; L60-I67 HydrophobicContact CD1-CD1 4.38Å; G64-I67 PolarHBondContact O-N 3.21Å; G64-I67 VanDerWaalsContact O-N 3.13Å; Q65-I67 VanDerWaalsContact C-N 3.3Å; I67-N106 HydrophobicContact CD1-CB 3.84Å; I67-N110 HydrophobicContact CG2-CB 4.5Å; I67-I112 HydrophobicContact CG2-CD1 3.85Å
68Q97.3Very high95.2Very high70 Ų7040.1 Ų40.133%0.32723%0.232SC..EExtended strand (participates in β ladder)trans-124.4132.5-172.4-62.7178.6-3.100110.8F51 F52 R54 Q65 A70F51-Q68 CarbonylContact C-O 3.55Å; F51-Q68 VanDerWaalsContact CA-O 3.25Å; F51-Q68 WeakPolarHBondContact CA-O 3.46Å; F52-Q68 PolarHBondContact N-O 2.86Å; F52-Q68 PolarHBondContact O-N 3.17Å; R54-Q68 VanDerWaalsContact NE-OE1 3.14Å; Q65-Q68 WeakPolarHBondContact O-CG 3.3Å; Q65-Q68 PolarHBondContact O-NE2 3.41Å; Q68-A70 PolarHBondContact O-N 3.32Å
69E97.3Very high95.2Very high98 Ų9838.4 Ų38.446%0.45822%0.224SC..EExtended strand (participates in β ladder)trans-64.9130.1172.1-166.9161.4-172.900109.8R49 F51R49-E69 WeakPolarHBondContact CG-OE1 3.46Å; R49-E69 IonicContact CZ-OE1 3.19Å; R49-E69 IonicContact CZ-OE2 3.46Å; R49-E69 IonicContact NE-OE1 3.19Å; R49-E69 PolarHBondContact NE-OE1 2.75Å; R49-E69 IonicContact NE-OE2 3.23Å; R49-E69 IonicContact NH2-OE1 2.93Å; R49-E69 IonicContact NH2-OE2 2.76Å; R49-E69 PolarHBondContact NH2-OE2 2.76Å; F51-E69 HydrophobicContact CD1-CB 3.97Å; F51-E69 HydrophobicContact CE1-CB 3.74Å; F51-E69 HydrophobicContact CE1-CG 4.23Å; F51-E69 HydrophobicContact CZ-CB 4.29Å; F51-E69 HydrophobicContact CZ-CG 4.29Å
70A97Very high95.1Very high9 Ų939.9 Ų39.97%0.07423%0.231CC..PPolyproline II helixtrans-95.1137.2-175.800000110.6V40 V50 F52 Q68V40-A70 HydrophobicContact CG1-CB 4.01Å; V40-A70 HydrophobicContact CG2-CB 4.04Å; V50-A70 WeakPolarHBondContact O-CB 3.45Å; V50-A70 PolarHBondContact O-N 2.8Å; F52-A70 HydrophobicContact CD1-CB 4.29Å; F52-A70 HydrophobicContact CD2-CB 3.73Å; F52-A70 HydrophobicContact CE1-CB 4Å; F52-A70 HydrophobicContact CE2-CB 3.37Å; F52-A70 HydrophobicContact CG-CB 4.18Å; F52-A70 HydrophobicContact CZ-CB 3.53Å; Q68-A70 PolarHBondContact O-N 3.32Å
71S94.5Very high95Very high52 Ų5243.7 Ų43.736%0.36425%0.251SS..PPolyproline II helixtrans-100.9165.6170.575.20000112A73 D74S71-A73 PolarHBondContact O-N 3.25Å; S71-A73 PolarHBondContact OG-N 2.96Å; S71-D74 WeakPolarHBondContact CA-OD2 3.43Å; S71-D74 VanDerWaalsContact CB-OD2 3.32Å; S71-D74 WeakPolarHBondContact CB-OD2 3.36Å; S71-D74 PolarHBondContact N-OD2 3.01Å; S71-D74 PolarHBondContact O-N 2.94Å; S71-D74 VanDerWaalsContact O-N 3.17Å; S71-D74 PolarHBondContact OG-N 3.34Å; S71-D74 PolarHBondContact OG-OD2 2.81Å
72W91.9Very high94.8Very high40 Ų4044.9 Ų44.915%0.15226%0.264CS..THydrogen-bonded Turntrans-55.8-37.9172.6-171.8-89.9000113.2R41 I44 D74 S76 I761 M762 K764R41-W72 HydrophobicContact CB-CE3 4.23Å; R41-W72 HydrophobicContact CB-CH2 3.63Å; R41-W72 HydrophobicContact CB-CZ2 4.39Å; R41-W72 HydrophobicContact CB-CZ3 3.56Å; R41-W72 VanDerWaalsContact CD-CZ2 3.49Å; R41-W72 HydrophobicContact CG-CD2 4.15Å; R41-W72 HydrophobicContact CG-CE3 3.89Å; R41-W72 HydrophobicContact CG-CH2 3.6Å; R41-W72 HydrophobicContact CG-CZ2 3.88Å; R41-W72 HydrophobicContact CG-CZ3 3.63Å; R41-W72 WeakPolarHBondContact O-CZ3 3.48Å; I44-W72 HydrophobicContact CB-CE3 4.4Å; I44-W72 HydrophobicContact CD1-CB 4.44Å; I44-W72 HydrophobicContact CG2-CE3 4.19Å; W72-D74 VanDerWaalsContact C-N 3.34Å; W72-S76 PolarHBondContact O-OG 3.23Å; W72-I761 VanDerWaalsContact CH2-O 3.22Å; W72-I761 WeakPolarHBondContact CH2-O 3.14Å; W72-M762 WeakPolarHBondContact CZ2-O 3.34Å; W72-K764 HydrophobicContact CD2-CB 4.48Å; W72-K764 HydrophobicContact CD2-CD 4.29Å; W72-K764 HydrophobicContact CD2-CG 4.42Å; W72-K764 HydrophobicContact CG-CD 4.45Å; W72-K764 HydrophobicContact CH2-CB 3.95Å; W72-K764 HydrophobicContact CH2-CG 4.42Å; W72-K764 HydrophobicContact CZ2-CB 3.47Å; W72-K764 VanDerWaalsContact CZ2-CB 3.47Å; W72-K764 HydrophobicContact CZ2-CG 4.2Å
73A90.8Very high94.8Very high33 Ų3341 Ų4127%0.27325%0.246SC..THydrogen-bonded Turntrans-69.9-32.5-178.400000111.5S71 V75 S76 N628S71-A73 PolarHBondContact O-N 3.25Å; S71-A73 PolarHBondContact OG-N 2.96Å; A73-V75 VanDerWaalsContact C-N 3.25Å; A73-V75 PolarHBondContact O-N 3.13Å; A73-S76 WeakPolarHBondContact O-CB 3.47Å; A73-S76 PolarHBondContact O-N 3.32Å; A73-S76 PolarHBondContact O-OG 3.29Å; A73-N628 HydrophobicContact CB-CB 4.39Å
74D93.9Very high94.8Very high63 Ų6342.1 Ų42.134%0.33725%0.252SS..THydrogen-bonded Turntrans-61.6-32.4-176.6-69.1-50.5000113F52 S71 W72 S76 K85F52-D74 HydrophobicContact CE2-CB 3.78Å; F52-D74 HydrophobicContact CZ-CB 4.09Å; S71-D74 WeakPolarHBondContact CA-OD2 3.43Å; S71-D74 VanDerWaalsContact CB-OD2 3.32Å; S71-D74 WeakPolarHBondContact CB-OD2 3.36Å; S71-D74 PolarHBondContact N-OD2 3.01Å; S71-D74 PolarHBondContact O-N 2.94Å; S71-D74 VanDerWaalsContact O-N 3.17Å; S71-D74 PolarHBondContact OG-N 3.34Å; S71-D74 PolarHBondContact OG-OD2 2.81Å; W72-D74 VanDerWaalsContact C-N 3.34Å; D74-S76 VanDerWaalsContact C-N 3.34Å; D74-K85 PolarHBondContact O-NZ 3.01Å
75V95Very high94.8Very high0 Ų042.8 Ų42.80%024%0.238CC..THydrogen-bonded Turntrans-95.613.5177.9-60.80000113.2R37 V40 R41 F52 A73 I78R37-V75 HydrophobicContact CB-CB 4.01Å; R37-V75 HydrophobicContact CB-CG2 4.43Å; R37-V75 HydrophobicContact CG-CB 3.98Å; R37-V75 HydrophobicContact CG-CG2 3.97Å; V40-V75 HydrophobicContact CB-CG1 3.81Å; V40-V75 HydrophobicContact CB-CG2 4.13Å; V40-V75 HydrophobicContact CG1-CG1 3.97Å; V40-V75 HydrophobicContact CG1-CG2 3.94Å; V40-V75 HydrophobicContact CG2-CG1 3.8Å; R41-V75 HydrophobicContact CG-CG2 3.8Å; F52-V75 HydrophobicContact CE1-CG1 4.03Å; F52-V75 HydrophobicContact CZ-CG1 3.64Å; A73-V75 VanDerWaalsContact C-N 3.25Å; A73-V75 PolarHBondContact O-N 3.13Å; V75-I78 HydrophobicContact CB-CD1 3.9Å; V75-I78 HydrophobicContact CB-CG1 4.39Å; V75-I78 HydrophobicContact CG1-CD1 3.99Å
76S91.2Very high94.9Very high31 Ų3134.9 Ų34.922%0.21720%0.201CC..THydrogen-bonded Turntrans-76.8130174.8-63.60000110.9R41 W72 A73 D74 I78R41-S76 PolarHBondContact NH2-OG 3.15Å; W72-S76 PolarHBondContact O-OG 3.23Å; A73-S76 WeakPolarHBondContact O-CB 3.47Å; A73-S76 PolarHBondContact O-N 3.32Å; A73-S76 PolarHBondContact O-OG 3.29Å; D74-S76 VanDerWaalsContact C-N 3.34Å; S76-I78 VanDerWaalsContact C-N 3.33Å; S76-I78 PolarHBondContact O-N 2.86Å
77G89.6Confident94.8Very high21 Ų2133.6 Ų33.622%0.21620%0.197CC..THydrogen-bonded Turntrans76.613.117500000115.6Q80G77-Q80 PolarHBondContact O-NE2 3.39Å; G77-Q80 PolarHBondContact O-OE1 3.03Å
78I95.3Very high94.6Very high6 Ų634.7 Ų34.73%0.03121%0.206CC..  trans-94.5-10.9175.271.6173.6000113.7N33 R37 V75 S76 Q80 L81 K85N33-I78 HydrophobicContact CB-CB 4.27Å; N33-I78 HydrophobicContact CB-CD1 4.28Å; N33-I78 HydrophobicContact CB-CG1 4.2Å; N33-I78 VanDerWaalsContact CB-O 3.24Å; N33-I78 WeakPolarHBondContact CB-O 3.39Å; R37-I78 HydrophobicContact CB-CD1 4.14Å; R37-I78 HydrophobicContact CB-CG1 4.16Å; V75-I78 HydrophobicContact CB-CD1 3.9Å; V75-I78 HydrophobicContact CB-CG1 4.39Å; V75-I78 HydrophobicContact CG1-CD1 3.99Å; S76-I78 VanDerWaalsContact C-N 3.33Å; S76-I78 PolarHBondContact O-N 2.86Å; I78-Q80 VanDerWaalsContact C-N 3.25Å; I78-Q80 PolarHBondContact O-N 3.12Å; I78-L81 HydrophobicContact CB-CD1 4.18Å; I78-L81 HydrophobicContact CG2-CD1 4.14Å; I78-L81 WeakPolarHBondContact O-CB 3.47Å; I78-L81 PolarHBondContact O-N 2.84Å; I78-K85 HydrophobicContact CD1-CB 4.42Å; I78-K85 HydrophobicContact CD1-CD 4.37Å; I78-K85 HydrophobicContact CG2-CB 4.48Å; I78-K85 HydrophobicContact CG2-CD 3.93Å; I78-K85 HydrophobicContact CG2-CG 4.03Å
79L95.6Very high94.2Very high4 Ų432.7 Ų32.72%0.02120%0.202CC..THydrogen-bonded Turntrans-58.5-35.8-173.2-172.261.9000113A34 P307 R312 A596A34-L79 HydrophobicContact CB-CD1 3.51Å; L79-P307 WeakPolarHBondContact O-CG 3.36Å; L79-R312 HydrophobicContact CD1-CB 4.16Å; L79-R312 HydrophobicContact CD1-CG 4.4Å; L79-R312 HydrophobicContact CG-CB 4.47Å; L79-R312 HydrophobicContact CG-CG 4.39Å; L79-A596 WeakPolarHBondContact CD2-O 3.39Å
80Q95Very high93.7Very high30 Ų3039.5 Ų39.514%0.1422%0.223CC..THydrogen-bonded Turntrans-91.7-1.8179.974.2-74.2-5.400114.5G77 I78 S306 D563G77-Q80 PolarHBondContact O-NE2 3.39Å; G77-Q80 PolarHBondContact O-OE1 3.03Å; I78-Q80 VanDerWaalsContact C-N 3.25Å; I78-Q80 PolarHBondContact O-N 3.12Å; Q80-S306 WeakPolarHBondContact O-CB 3.45Å; Q80-S306 PolarHBondContact O-OG 3.11Å; Q80-D563 VanDerWaalsContact CB-OD1 3.27Å; Q80-D563 WeakPolarHBondContact CB-OD1 3.46Å; Q80-D563 WeakPolarHBondContact CB-OD2 3.24Å
81L95.9Very high93.4Very high80 Ų8039.9 Ų39.942%0.41923%0.225SC..  trans-84.4135.2-178.5-58.9-178.5000110.3N33 I78N33-L81 PolarHBondContact ND2-O 2.94Å; I78-L81 HydrophobicContact CB-CD1 4.18Å; I78-L81 HydrophobicContact CG2-CD1 4.14Å; I78-L81 WeakPolarHBondContact O-CB 3.47Å; I78-L81 PolarHBondContact O-N 2.84Å
82G94.1Very high93.1Very high30 Ų3043.6 Ų43.631%0.30924%0.238SC..SBendtrans-68.9173.7166.900000112.8N33 G305N33-G82 PolarHBondContact ND2-O 2.82Å; G82-G305 WeakPolarHBondContact CA-O 3.37Å
83G95Very high93.1Very high10 Ų1043.7 Ų43.710%0.10324%0.242CC..SBendtrans60-145.4-179.500000113.5D28 N33D28-G83 WeakPolarHBondContact OD2-CA 3.11Å; N33-G83 PolarHBondContact ND2-O 3.4Å
84T96.1Very high93.3Very high27 Ų2742.8 Ų42.817%0.16623%0.231CC..  trans-132.8129.2177.5172.20000112.2T24 N33 I86 G87T24-T84 WeakPolarHBondContact CG2-OG1 3.42Å; T24-T84 WeakPolarHBondContact OG1-CB 3.36Å; T24-T84 WeakPolarHBondContact OG1-CG2 3.35Å; T24-T84 PolarHBondContact OG1-OG1 3.29Å; N33-T84 WeakPolarHBondContact OD1-CA 3.32Å; T84-I86 PolarHBondContact O-N 2.99Å; T84-I86 WeakPolarHBondContact OG1-CG1 3.42Å; T84-I86 PolarHBondContact OG1-N 3.48Å; T84-G87 PolarHBondContact O-N 3.39Å
85K95.5Very high93.1Very high74 Ų7448.6 Ų48.632%0.32225%0.249SC..THydrogen-bonded Turntrans-66.2-24.1179.2-165.2-134.3-179.6-176.70112.5N33 D74 I78N33-K85 WeakPolarHBondContact OD1-CB 3.34Å; N33-K85 PolarHBondContact OD1-N 3.43Å; D74-K85 PolarHBondContact O-NZ 3.01Å; I78-K85 HydrophobicContact CD1-CB 4.42Å; I78-K85 HydrophobicContact CD1-CD 4.37Å; I78-K85 HydrophobicContact CG2-CB 4.48Å; I78-K85 HydrophobicContact CG2-CD 3.93Å; I78-K85 HydrophobicContact CG2-CG 4.03Å
86I96.9Very high93.1Very high2 Ų254.1 Ų54.11%0.0128%0.275CS..THydrogen-bonded Turntrans-98.32.2-179.364.6179.1000112.4T24 V36 F52 R54 E55 T84T24-I86 HydrophobicContact CG2-CD1 4.04Å; T24-I86 HydrophobicContact CG2-CG1 4.18Å; T24-I86 WeakPolarHBondContact OG1-CG1 3.27Å; V36-I86 HydrophobicContact CG2-CD1 4.03Å; F52-I86 HydrophobicContact CB-CG2 4.04Å; F52-I86 HydrophobicContact CD1-CG2 3.54Å; F52-I86 HydrophobicContact CE1-CG2 4.07Å; F52-I86 HydrophobicContact CG-CG2 3.8Å; R54-I86 CarbonylContact C-O 3.55Å; R54-I86 WeakPolarHBondContact CA-O 3.38Å; E55-I86 PolarHBondContact N-O 2.99Å; T84-I86 PolarHBondContact O-N 2.99Å; T84-I86 WeakPolarHBondContact OG1-CG1 3.42Å; T84-I86 PolarHBondContact OG1-N 3.48Å
87G95.3Very high93.3Very high14 Ų1456.8 Ų56.814%0.14428%0.28CS..  trans74.4168.5179.100000113.3T24 T84T24-G87 PolarHBondContact OG1-O 3.02Å; T84-G87 PolarHBondContact O-N 3.39Å
88S93.2Very high93.6Very high34 Ų3461.1 Ų61.124%0.23829%0.29CS..  trans-155.1111.2177.7179.50000108.5S25 G26S25-S88 WeakPolarHBondContact CA-OG 3.28Å; G26-S88 PolarHBondContact N-OG 3.3Å; G26-S88 PolarHBondContact O-OG 3.26Å
89A89.4Confident93.6Very high29 Ų2960.8 Ų60.824%0.2429%0.289CS..  trans-110.7148.4177.100000111.1E55 Q58 C91E55-A89 HydrophobicContact CB-CB 3.95Å; E55-A89 WeakPolarHBondContact O-CB 3.34Å; E55-A89 PolarHBondContact O-N 3.09Å; Q58-A89 HydrophobicContact CB-CB 4.03Å; A89-C91 PolarHBondContact O-N 3.31Å
90R86.1Confident93.7Very high241 Ų24161.6 Ų61.691%0.90929%0.291SS*.  trans-69.5124.5166.8-67.7-174.7-166.9169.14.3108.3
91C90.4Very high93.8Very high17 Ų1761.3 Ų61.312%0.11529%0.291CS..  trans-107110.6176.8-170.40000110.3Q58 A89 F94Q58-C91 HydrophobicContact CB-CB 4.18Å; Q58-C91 PolarHBondContact OE1-SG 3.01Å; A89-C91 PolarHBondContact O-N 3.31Å; C91-F94 HydrophobicContact CB-CB 4.1Å; C91-F94 VanDerWaalsContact SG-CB 3.51Å; C91-F94 PolarHBondContact SG-N 3.28Å
92M89.4Confident93.9Very high129 Ų12962.2 Ų62.264%0.63529%0.292SS*.SBendtrans-76.3-39.8172.8-67.3-67.7-83.200110.3F94 R95M92-F94 VanDerWaalsContact C-N 3.3Å; M92-F94 PolarHBondContact O-N 2.94Å; M92-R95 VanDerWaalsContact O-CB 3.27Å; M92-R95 WeakPolarHBondContact O-CB 3.37Å; M92-R95 PolarHBondContact O-N 2.87Å
93D92.3Very high94Very high43 Ų4360.8 Ų60.823%0.2328%0.277CS..G310 helixtrans-57.8-40.6-177-60.20.8000112.4V61 R95 E96 Y98 G99V61-D93 HydrophobicContact CG1-CB 4.15Å; D93-R95 PolarHBondContact O-N 3.28Å; D93-E96 WeakPolarHBondContact O-CB 3.43Å; D93-E96 PolarHBondContact O-N 2.86Å; D93-Y98 HydrophobicContact CB-CE2 4.11Å; D93-Y98 WeakPolarHBondContact CB-OH 3.43Å; D93-Y98 PolarHBondContact OD1-OH 3.09Å; D93-G99 WeakPolarHBondContact O-CA 3.36Å; D93-G99 PolarHBondContact O-N 3.41Å
94F94.2Very high94.2Very high13 Ų1360.3 Ų60.36%0.05727%0.272CS..G310 helixtrans-69.1-16.7-178.8-159.2-98.5000113.7Y57 L60 V61 C91 M92 E96 R100 A103 F130Y57-F94 AromaticContact CD1-CD1 3.63Å; Y57-F94 HydrophobicContact CD1-CD1 3.63Å; Y57-F94 AromaticContact CD1-CD2 3.95Å; Y57-F94 HydrophobicContact CD1-CD2 3.95Å; Y57-F94 AromaticContact CD1-CE1 3.43Å; Y57-F94 HydrophobicContact CD1-CE1 3.43Å; Y57-F94 VanDerWaalsContact CD1-CE1 3.43Å; Y57-F94 AromaticContact CD1-CE2 3.76Å; Y57-F94 HydrophobicContact CD1-CE2 3.76Å; Y57-F94 AromaticContact CD1-CG 3.88Å; Y57-F94 HydrophobicContact CD1-CG 3.88Å; Y57-F94 AromaticContact CD1-CZ 3.49Å; Y57-F94 HydrophobicContact CD1-CZ 3.49Å; Y57-F94 VanDerWaalsContact CD1-CZ 3.49Å; Y57-F94 HydrophobicContact CD2-CD1 4.36Å; Y57-F94 HydrophobicContact CE1-CD1 4.01Å; Y57-F94 AromaticContact CE1-CE1 3.4Å; Y57-F94 HydrophobicContact CE1-CE1 3.4Å; Y57-F94 HydrophobicContact CE1-CE2 4.24Å; Y57-F94 AromaticContact CE1-CZ 3.52Å; Y57-F94 HydrophobicContact CE1-CZ 3.52Å; Y57-F94 AromaticContact CG-CD1 3.84Å; Y57-F94 HydrophobicContact CG-CD1 3.84Å; Y57-F94 HydrophobicContact CG-CD2 4.43Å; Y57-F94 HydrophobicContact CG-CE1 4.09Å; Y57-F94 HydrophobicContact CG-CG 4.02Å; Y57-F94 HydrophobicContact CG-CZ 4.48Å; L60-F94 HydrophobicContact CD2-CE2 4.02Å; L60-F94 HydrophobicContact CD2-CZ 4.45Å; V61-F94 HydrophobicContact CG2-CB 4.21Å; V61-F94 HydrophobicContact CG2-CD2 3.8Å; C91-F94 HydrophobicContact CB-CB 4.1Å; C91-F94 VanDerWaalsContact SG-CB 3.51Å; C91-F94 PolarHBondContact SG-N 3.28Å; M92-F94 VanDerWaalsContact C-N 3.3Å; M92-F94 PolarHBondContact O-N 2.94Å; F94-E96 VanDerWaalsContact C-N 3.25Å; F94-R100 HydrophobicContact CD1-CG 4.23Å; F94-R100 HydrophobicContact CD2-CG 4.02Å; F94-R100 HydrophobicContact CE1-CG 4.17Å; F94-R100 HydrophobicContact CE2-CB 4.5Å; F94-R100 HydrophobicContact CE2-CG 3.97Å; F94-R100 HydrophobicContact CG-CG 4.16Å; F94-R100 HydrophobicContact CZ-CG 4.05Å; F94-R100 VanDerWaalsContact O-CG 3.31Å; F94-R100 WeakPolarHBondContact O-CG 3.39Å; F94-R100 PolarHBondContact O-NH1 3.03Å; F94-R100 VanDerWaalsContact O-NH1 3.13Å; F94-A103 HydrophobicContact CD2-CB 4.02Å; F94-A103 HydrophobicContact CE2-CB 3.55Å; F94-F130 HydrophobicContact CE1-CB 4.22Å; F94-F130 HydrophobicContact CE1-CG 4.41Å; F94-F130 HydrophobicContact CE2-CD2 4.15Å; F94-F130 HydrophobicContact CE2-CE2 4.16Å; F94-F130 HydrophobicContact CE2-CG 4.35Å; F94-F130 HydrophobicContact CE2-CZ 4.34Å; F94-F130 HydrophobicContact CZ-CB 3.85Å; F94-F130 AromaticContact CZ-CD1 3.89Å; F94-F130 HydrophobicContact CZ-CD1 3.89Å; F94-F130 AromaticContact CZ-CD2 3.73Å; F94-F130 HydrophobicContact CZ-CD2 3.73Å; F94-F130 HydrophobicContact CZ-CE1 4.31Å; F94-F130 HydrophobicContact CZ-CE2 4.17Å; F94-F130 AromaticContact CZ-CG 3.56Å; F94-F130 HydrophobicContact CZ-CG 3.56Å; F94-F130 HydrophobicContact CZ-CZ 4.41Å
95R90.4Very high94.2Very high186 Ų18660.2 Ų60.270%0.70227%0.269SS*.G310 helixtrans-69.1-30.4170.2-61-175.2172-157.4-4.4111.4M92 D93 R100M92-R95 VanDerWaalsContact O-CB 3.27Å; M92-R95 WeakPolarHBondContact O-CB 3.37Å; M92-R95 PolarHBondContact O-N 2.87Å; D93-R95 PolarHBondContact O-N 3.28Å; R95-R100 VanDerWaalsContact C-NH1 3.3Å; R95-R100 PolarHBondContact O-NH1 3.31Å
96E94.3Very high94.3Very high116 Ų11657.6 Ų57.654%0.54226%0.259SS..SBendtrans-89.3149.9176.6-58.3-57.5148.700110.9D93 F94 Y98 G99 R100D93-E96 WeakPolarHBondContact O-CB 3.43Å; D93-E96 PolarHBondContact O-N 2.86Å; F94-E96 VanDerWaalsContact C-N 3.25Å; E96-Y98 HydrophobicContact CB-CD1 3.4Å; E96-Y98 HydrophobicContact CB-CE1 3.49Å; E96-Y98 VanDerWaalsContact CB-CE1 3.49Å; E96-Y98 HydrophobicContact CG-CD1 4.21Å; E96-Y98 HydrophobicContact CG-CE1 3.89Å; E96-Y98 PolarHBondContact O-N 3.29Å; E96-G99 PolarHBondContact O-N 2.89Å; E96-R100 PolarHBondContact O-N 3.22Å; E96-R100 PolarHBondContact O-NH1 2.93Å
97R95.2Very high94.3Very high87 Ų8757.5 Ų57.533%0.32826%0.259SS..Hα-helixtrans-59.5-35.1-179.5-172.5177.3175.1101.8-1.9112.3G99 R100 L101 S136 L137 E140R97-G99 VanDerWaalsContact C-N 3.31Å; R97-G99 PolarHBondContact O-N 3.22Å; R97-R100 PolarHBondContact O-N 2.75Å; R97-L101 PolarHBondContact O-N 2.83Å; R97-S136 PolarHBondContact NH2-OG 3.29Å; R97-L137 HydrophobicContact CG-CD2 4.18Å; R97-E140 IonicContact CZ-OE2 2.98Å; R97-E140 IonicContact NE-OE2 2.85Å; R97-E140 PolarHBondContact NE-OE2 3.02Å; R97-E140 IonicContact NH2-OE2 2.7Å; R97-E140 PolarHBondContact NH2-OE2 3.49Å; R97-E140 VanDerWaalsContact NH2-OE2 3.07Å
98Y95.7Very high94.3Very high111 Ų11157.2 Ų57.244%0.43525%0.254SS..Hα-helixtrans-62.7-36.4179.887.1-94.2000112.6D93 E96 L101 K102D93-Y98 HydrophobicContact CB-CE2 4.11Å; D93-Y98 WeakPolarHBondContact CB-OH 3.43Å; D93-Y98 PolarHBondContact OD1-OH 3.09Å; E96-Y98 HydrophobicContact CB-CD1 3.4Å; E96-Y98 HydrophobicContact CB-CE1 3.49Å; E96-Y98 VanDerWaalsContact CB-CE1 3.49Å; E96-Y98 HydrophobicContact CG-CD1 4.21Å; E96-Y98 HydrophobicContact CG-CE1 3.89Å; E96-Y98 PolarHBondContact O-N 3.29Å; Y98-L101 WeakPolarHBondContact O-CB 3.43Å; Y98-L101 PolarHBondContact O-N 2.86Å; Y98-K102 PolarHBondContact O-N 2.77Å; Y98-K102 VanDerWaalsContact O-N 3.08Å
99G96.4Very high94.4Very high0 Ų061.3 Ų61.30%027%0.268CS..Hα-helixtrans-69.4-41.8177.200000110.7D93 E96 R97 L101 K102 A103D93-G99 WeakPolarHBondContact O-CA 3.36Å; D93-G99 PolarHBondContact O-N 3.41Å; E96-G99 PolarHBondContact O-N 2.89Å; R97-G99 VanDerWaalsContact C-N 3.31Å; R97-G99 PolarHBondContact O-N 3.22Å; G99-L101 VanDerWaalsContact C-N 3.3Å; G99-L101 PolarHBondContact O-N 3.33Å; G99-K102 PolarHBondContact O-N 3.26Å; G99-A103 WeakPolarHBondContact O-CB 3.47Å; G99-A103 PolarHBondContact O-N 3.07Å
100R97.2Very high94.7Very high20 Ų2062.3 Ų62.38%0.07527%0.269CS..Hα-helixtrans-61.5-38172.9-63.5-167.3-64.7-85.411.2112.1F94 R95 E96 R97 A103 A104 F130 E133 L137F94-R100 HydrophobicContact CD1-CG 4.23Å; F94-R100 HydrophobicContact CD2-CG 4.02Å; F94-R100 HydrophobicContact CE1-CG 4.17Å; F94-R100 HydrophobicContact CE2-CB 4.5Å; F94-R100 HydrophobicContact CE2-CG 3.97Å; F94-R100 HydrophobicContact CG-CG 4.16Å; F94-R100 HydrophobicContact CZ-CG 4.05Å; F94-R100 VanDerWaalsContact O-CG 3.31Å; F94-R100 WeakPolarHBondContact O-CG 3.39Å; F94-R100 PolarHBondContact O-NH1 3.03Å; F94-R100 VanDerWaalsContact O-NH1 3.13Å; R95-R100 VanDerWaalsContact C-NH1 3.3Å; R95-R100 PolarHBondContact O-NH1 3.31Å; E96-R100 PolarHBondContact O-N 3.22Å; E96-R100 PolarHBondContact O-NH1 2.93Å; R97-R100 PolarHBondContact O-N 2.75Å; R100-A103 WeakPolarHBondContact O-CB 3.36Å; R100-A103 PolarHBondContact O-N 2.89Å; R100-A104 WeakPolarHBondContact O-CB 3.43Å; R100-A104 PolarHBondContact O-N 3.37Å; R100-F130 HydrophobicContact CB-CD2 3.97Å; R100-F130 HydrophobicContact CB-CE2 4.08Å; R100-F130 HydrophobicContact CG-CD2 4.18Å; R100-F130 WeakPolarHBondContact O-CE2 3.41Å; R100-E133 IonicContact CZ-OE1 3.31Å; R100-E133 IonicContact CZ-OE2 2.68Å; R100-E133 VanDerWaalsContact CZ-OE2 3.26Å; R100-E133 IonicContact NE-OE1 2.69Å; R100-E133 IonicContact NE-OE2 3.21Å; R100-E133 PolarHBondContact NE-OE2 3.48Å; R100-E133 IonicContact NH2-OE1 3.93Å; R100-E133 PolarHBondContact NH2-OE1 3.04Å; R100-E133 IonicContact NH2-OE2 3.31Å; R100-E133 PolarHBondContact NH2-OE2 3.17Å; R100-L137 HydrophobicContact CB-CD1 4.05Å; R100-L137 HydrophobicContact CB-CD2 4.33Å
101L97.1Very high95.1Very high25 Ų2555.7 Ų55.713%0.13125%0.248CC..Hα-helixtrans-60.7-48.3174.9-161.487.1000111.7R97 Y98 G99 A103 A104 E105 L137 E140 L141R97-L101 PolarHBondContact O-N 2.83Å; Y98-L101 WeakPolarHBondContact O-CB 3.43Å; Y98-L101 PolarHBondContact O-N 2.86Å; G99-L101 VanDerWaalsContact C-N 3.3Å; G99-L101 PolarHBondContact O-N 3.33Å; L101-A103 PolarHBondContact O-N 3.34Å; L101-A104 PolarHBondContact O-N 2.89Å; L101-E105 PolarHBondContact O-N 3.44Å; L101-L137 HydrophobicContact CB-CD2 4.36Å; L101-L137 HydrophobicContact CD1-CB 4.35Å; L101-L137 HydrophobicContact CD1-CD2 3.9Å; L101-E140 HydrophobicContact CD1-CB 3.8Å; L101-E140 HydrophobicContact CD1-CG 3.76Å; L101-L141 HydrophobicContact CD1-CD2 4.26Å; L101-L141 HydrophobicContact CD1-CG 3.93Å; L101-L141 HydrophobicContact CD2-CD2 4.05Å; L101-L141 HydrophobicContact CG-CD2 3.75Å; L101-L141 HydrophobicContact CG-CG 3.96Å
102K97.2Very high95.3Very high99 Ų9954.9 Ų54.943%0.4324%0.243SC..Hα-helixtrans-60.7-42.8175.1-77-176.4175.9-179.50112.4V61 Y98 G99 A104 E105 N106V61-K102 HydrophobicContact CG1-CB 4.14Å; V61-K102 HydrophobicContact CG1-CD 4Å; Y98-K102 PolarHBondContact O-N 2.77Å; Y98-K102 VanDerWaalsContact O-N 3.08Å; G99-K102 PolarHBondContact O-N 3.26Å; K102-A104 PolarHBondContact O-N 2.79Å; K102-E105 WeakPolarHBondContact O-CB 3.49Å; K102-E105 PolarHBondContact O-N 3.07Å; K102-N106 PolarHBondContact O-N 2.91Å; K102-N106 PolarHBondContact O-ND2 3.5Å
103A97.5Very high95.5Very high0 Ų049.5 Ų49.50%022%0.217CC..Hα-helixtrans-59.7-44.7176.100000112.2L60 V61 F94 G99 R100 L101 N106 L107 F130L60-A103 HydrophobicContact CD2-CB 3.89Å; L60-A103 HydrophobicContact CG-CB 3.66Å; V61-A103 HydrophobicContact CG2-CB 4.38Å; F94-A103 HydrophobicContact CD2-CB 4.02Å; F94-A103 HydrophobicContact CE2-CB 3.55Å; G99-A103 WeakPolarHBondContact O-CB 3.47Å; G99-A103 PolarHBondContact O-N 3.07Å; R100-A103 WeakPolarHBondContact O-CB 3.36Å; R100-A103 PolarHBondContact O-N 2.89Å; L101-A103 PolarHBondContact O-N 3.34Å; A103-N106 PolarHBondContact O-N 3Å; A103-L107 WeakPolarHBondContact O-CG 3.12Å; A103-L107 PolarHBondContact O-N 2.93Å; A103-F130 HydrophobicContact CB-CE2 4.17Å; A103-F130 HydrophobicContact CB-CZ 3.85Å
104A97.5Very high95.7Very high0 Ų047.5 Ų47.50%021%0.206CC..Hα-helixtrans-62.9-42.817600000111.8R100 L101 K102 N106 L107 V108 F130 W134 L137 L141R100-A104 WeakPolarHBondContact O-CB 3.43Å; R100-A104 PolarHBondContact O-N 3.37Å; L101-A104 PolarHBondContact O-N 2.89Å; K102-A104 PolarHBondContact O-N 2.79Å; A104-N106 VanDerWaalsContact C-N 3.31Å; A104-N106 PolarHBondContact O-N 3.49Å; A104-L107 PolarHBondContact O-N 3.19Å; A104-V108 WeakPolarHBondContact O-CG2 3.42Å; A104-V108 PolarHBondContact O-N 3.39Å; A104-F130 HydrophobicContact CB-CE2 4.21Å; A104-F130 HydrophobicContact CB-CZ 4.23Å; A104-W134 HydrophobicContact CB-CE3 4.11Å; A104-W134 HydrophobicContact CB-CH2 3.95Å; A104-W134 HydrophobicContact CB-CZ3 3.47Å; A104-W134 VanDerWaalsContact CB-CZ3 3.47Å; A104-L137 HydrophobicContact CB-CB 4.21Å; A104-L137 HydrophobicContact CB-CD1 4.34Å; A104-L141 HydrophobicContact CB-CD1 3.88Å
105E97.1Very high95.9Very high24 Ų2446.9 Ų46.911%0.11220%0.204CC..Hα-helixtrans-56.1-45.7174.1-174-177.6168.900111.5L101 K102 V108 K109 L141 K146L101-E105 PolarHBondContact O-N 3.44Å; K102-E105 WeakPolarHBondContact O-CB 3.49Å; K102-E105 PolarHBondContact O-N 3.07Å; E105-V108 PolarHBondContact O-N 3.28Å; E105-K109 HydrophobicContact CG-CD 4.23Å; E105-K109 WeakPolarHBondContact O-CB 3.22Å; E105-K109 VanDerWaalsContact O-CG 3.3Å; E105-K109 WeakPolarHBondContact O-CG 3.25Å; E105-K109 PolarHBondContact O-N 3.44Å; E105-K109 VanDerWaalsContact OE1-CE 3.24Å; E105-K109 WeakPolarHBondContact OE1-CE 3.34Å; E105-K109 IonicContact OE1-NZ 3.78Å; E105-K109 PolarHBondContact OE1-NZ 2.99Å; E105-L141 HydrophobicContact CB-CD1 4.17Å; E105-L141 HydrophobicContact CB-CD2 3.88Å; E105-L141 HydrophobicContact CG-CD2 4.33Å; E105-K146 HydrophobicContact CG-CB 4.46Å
106N97.5Very high96.3Very high20 Ų2038 Ų3811%0.10717%0.17CC..Hα-helixtrans-67.2-39.6-179.4-70.8-29.8000113L60 V61 G63 I67 K102 A103 A104 N110L60-N106 PolarHBondContact O-ND2 2.89Å; V61-N106 PolarHBondContact O-ND2 3.24Å; G63-N106 VanDerWaalsContact CA-ND2 3.31Å; G63-N106 WeakPolarHBondContact CA-ND2 3.32Å; G63-N106 PolarHBondContact N-ND2 3.3Å; I67-N106 HydrophobicContact CD1-CB 3.84Å; K102-N106 PolarHBondContact O-N 2.91Å; K102-N106 PolarHBondContact O-ND2 3.5Å; A103-N106 PolarHBondContact O-N 3Å; A104-N106 VanDerWaalsContact C-N 3.31Å; A104-N106 PolarHBondContact O-N 3.49Å; N106-N110 PolarHBondContact O-N 3.42Å; N106-N110 PolarHBondContact O-ND2 2.94Å
107L97.1Very high96.4Very high0 Ų032.5 Ų32.50%014%0.144CC..Hα-helixtrans-64.2-47.1175.6-72177.3000111.3L60 A103 A104 K109 N110 Q111 I112 F130 W134 L158L60-L107 HydrophobicContact CD1-CD1 4.25Å; L60-L107 HydrophobicContact CD1-CD2 3.65Å; L60-L107 HydrophobicContact CD1-CG 3.78Å; A103-L107 WeakPolarHBondContact O-CG 3.12Å; A103-L107 PolarHBondContact O-N 2.93Å; A104-L107 PolarHBondContact O-N 3.19Å; L107-K109 PolarHBondContact O-N 2.92Å; L107-N110 CarbonylContact O-C 3.56Å; L107-N110 PolarHBondContact O-N 3.5Å; L107-N110 VanDerWaalsContact O-N 3.15Å; L107-Q111 PolarHBondContact O-N 2.98Å; L107-I112 HydrophobicContact CB-CB 4.42Å; L107-I112 HydrophobicContact CD2-CB 3.8Å; L107-I112 HydrophobicContact CD2-CD1 4.01Å; L107-I112 HydrophobicContact CD2-CG2 3.69Å; L107-I112 PolarHBondContact O-N 2.84Å; L107-F130 HydrophobicContact CD1-CE1 3.72Å; L107-F130 HydrophobicContact CD1-CZ 4.04Å; L107-W134 HydrophobicContact CB-CH2 3.98Å; L107-W134 HydrophobicContact CD1-CH2 3.93Å; L107-W134 HydrophobicContact CD1-CZ3 3.99Å; L107-L158 HydrophobicContact CD1-CD1 4.08Å
108V95.8Very high96.6Very high7 Ų728.3 Ų28.34%0.04213%0.129CC..Hα-helixtrans-61.1-43.6178.71700000111.4A104 E105 N110 Q111 W134 L138 I147 F155A104-V108 WeakPolarHBondContact O-CG2 3.42Å; A104-V108 PolarHBondContact O-N 3.39Å; E105-V108 PolarHBondContact O-N 3.28Å; V108-N110 PolarHBondContact O-N 2.71Å; V108-Q111 PolarHBondContact O-N 2.88Å; V108-W134 HydrophobicContact CG2-CH2 4.35Å; V108-W134 HydrophobicContact CG2-CZ2 4.14Å; V108-L138 HydrophobicContact CG2-CD2 3.68Å; V108-I147 HydrophobicContact CB-CG2 4.4Å; V108-I147 HydrophobicContact CG1-CB 4.35Å; V108-I147 HydrophobicContact CG1-CD1 4.42Å; V108-I147 HydrophobicContact CG1-CG2 3.91Å; V108-F155 HydrophobicContact CG1-CD2 3.89Å; V108-F155 HydrophobicContact CG2-CB 4.29Å
109K94.6Very high96.6Very high121 Ų12123 Ų2353%0.52611%0.108SC..Hα-helixtrans-60.4-33176.8-77.9175.9-178.5172.30113.3E105 L107E105-K109 HydrophobicContact CG-CD 4.23Å; E105-K109 WeakPolarHBondContact O-CB 3.22Å; E105-K109 VanDerWaalsContact O-CG 3.3Å; E105-K109 WeakPolarHBondContact O-CG 3.25Å; E105-K109 PolarHBondContact O-N 3.44Å; E105-K109 VanDerWaalsContact OE1-CE 3.24Å; E105-K109 WeakPolarHBondContact OE1-CE 3.34Å; E105-K109 IonicContact OE1-NZ 3.78Å; E105-K109 PolarHBondContact OE1-NZ 2.99Å; L107-K109 PolarHBondContact O-N 2.92Å
110N94.9Very high96.4Very high50 Ų5023.5 Ų23.527%0.26711%0.112SC..THydrogen-bonded Turntrans-92.34.3176.9-70.6-75.9000113.1I67 N106 L107 V108 I112I67-N110 HydrophobicContact CG2-CB 4.5Å; N106-N110 PolarHBondContact O-N 3.42Å; N106-N110 PolarHBondContact O-ND2 2.94Å; L107-N110 CarbonylContact O-C 3.56Å; L107-N110 PolarHBondContact O-N 3.5Å; L107-N110 VanDerWaalsContact O-N 3.15Å; V108-N110 PolarHBondContact O-N 2.71Å; N110-I112 HydrophobicContact CB-CD1 3.57Å; N110-I112 HydrophobicContact CB-CG1 3.91Å; N110-I112 PolarHBondContact O-N 3.47Å
111Q94.8Very high95.9Very high102 Ų10224.7 Ų24.748%0.47712%0.12SC..THydrogen-bonded Turntrans61.327.8-179.4-48176.77.600113.4C19 L107 V108 F155C19-Q111 VanDerWaalsContact CB-O 3.26Å; C19-Q111 WeakPolarHBondContact CB-O 3.31Å; L107-Q111 PolarHBondContact O-N 2.98Å; V108-Q111 PolarHBondContact O-N 2.88Å; Q111-F155 HydrophobicContact CB-CE1 3.8Å; Q111-F155 HydrophobicContact CB-CZ 3.66Å; Q111-F155 HydrophobicContact CG-CE1 4.33Å; Q111-F155 HydrophobicContact CG-CE2 4.36Å; Q111-F155 HydrophobicContact CG-CZ 3.67Å
112I96Very high95.5Very high0 Ų025.7 Ų25.70%014%0.137CC..  trans-90117.1-178.1-60.7160.7000109.5C19 A21 F51 I67 L107 N110C19-I112 HydrophobicContact CB-CG1 4.41Å; A21-I112 HydrophobicContact CB-CD1 4.04Å; A21-I112 HydrophobicContact CB-CG2 3.65Å; F51-I112 HydrophobicContact CB-CD1 4.15Å; F51-I112 HydrophobicContact CD1-CD1 4.47Å; F51-I112 HydrophobicContact CD2-CD1 4.14Å; F51-I112 HydrophobicContact CD2-CG1 4.03Å; F51-I112 HydrophobicContact CE2-CG1 4.33Å; F51-I112 HydrophobicContact CG-CD1 4.01Å; F51-I112 HydrophobicContact CG-CG1 4.42Å; I67-I112 HydrophobicContact CG2-CD1 3.85Å; L107-I112 HydrophobicContact CB-CB 4.42Å; L107-I112 HydrophobicContact CD2-CB 3.8Å; L107-I112 HydrophobicContact CD2-CD1 4.01Å; L107-I112 HydrophobicContact CD2-CG2 3.69Å; L107-I112 PolarHBondContact O-N 2.84Å; N110-I112 HydrophobicContact CB-CD1 3.57Å; N110-I112 HydrophobicContact CB-CG1 3.91Å; N110-I112 PolarHBondContact O-N 3.47Å
113T93.3Very high95.3Very high16 Ų1621.3 Ų21.310%0.09812%0.118CC..  trans-113.2-11.5175.348.40000113.4F155 L158 N159T113-F155 HydrophobicContact CG2-CB 4.06Å; T113-F155 HydrophobicContact CG2-CD1 3.53Å; T113-F155 HydrophobicContact CG2-CE1 4.48Å; T113-F155 HydrophobicContact CG2-CG 4.26Å; T113-L158 WeakPolarHBondContact O-CA 3.48Å; T113-N159 PolarHBondContact O-N 2.81Å
114N96.5Very high95.1Very high0 Ų021.3 Ų21.30%012%0.118CC..EExtended strand (participates in β ladder)trans-119.1124.4-177.7-59.2-75.1000110C19 I20 A21 N159 L326 M327C19-N114 WeakPolarHBondContact O-CB 3.4Å; C19-N114 PolarHBondContact O-N 2.82Å; C19-N114 PolarHBondContact O-ND2 2.76Å; I20-N114 CarbonylContact C-O 3.45Å; I20-N114 WeakPolarHBondContact CA-O 3.3Å; I20-N114 HydrophobicContact CB-CB 4.49Å; I20-N114 HydrophobicContact CG1-CB 4Å; A21-N114 PolarHBondContact N-O 2.9Å; N114-N159 WeakPolarHBondContact OD1-CB 3.43Å; N114-N159 PolarHBondContact OD1-ND2 3.4Å; N114-L326 HydrophobicContact CB-CB 4.27Å; N114-L326 HydrophobicContact CB-CD1 4.03Å; N114-L326 HydrophobicContact CB-CD2 4.05Å; N114-L326 HydrophobicContact CB-CG 4.35Å; N114-M327 HydrophobicContact CB-CE 4.45Å
115L97.8Very high94.7Very high0 Ų023.1 Ų23.10%013%0.13CC..EExtended strand (participates in β ladder)trans-128.5123.4-175-177.366.6000111.5A21 L23 I53 V117 L158 N159 I160 V161A21-L115 HydrophobicContact CB-CD1 3.95Å; A21-L115 WeakPolarHBondContact O-CA 3.31Å; L23-L115 HydrophobicContact CD2-CD1 4.16Å; L23-L115 HydrophobicContact CD2-CD2 4.43Å; I53-L115 HydrophobicContact CD1-CD1 3.49Å; I53-L115 VanDerWaalsContact CD1-CD1 3.49Å; L115-V117 HydrophobicContact CD2-CG2 3.89Å; L115-V117 HydrophobicContact CG-CG2 3.92Å; L115-L158 HydrophobicContact CB-CD1 4.34Å; L115-N159 PolarHBondContact N-O 3.26Å; L115-I160 HydrophobicContact CB-CG1 4.33Å; L115-I160 HydrophobicContact CD2-CD1 4.36Å; L115-I160 WeakPolarHBondContact O-CA 3.35Å; L115-V161 PolarHBondContact O-N 3.28Å
116V98.3Very high94.4Very high0 Ų022.8 Ų22.80%013%0.133CC..EExtended strand (participates in β ladder)trans-96.4121.2167.3-175.80000109.2I20 A21 V22 L23 V39 I118 V161 L163 A322 L326I20-V116 HydrophobicContact CG2-CG2 4.24Å; A21-V116 PolarHBondContact O-N 3.05Å; V22-V116 WeakPolarHBondContact CA-O 3.12Å; V22-V116 HydrophobicContact CB-CB 4.37Å; V22-V116 HydrophobicContact CG2-CB 4.19Å; V22-V116 HydrophobicContact CG2-CG1 4.33Å; L23-V116 PolarHBondContact N-O 2.75Å; V39-V116 HydrophobicContact CG1-CB 4.37Å; V39-V116 HydrophobicContact CG1-CG2 3.89Å; V39-V116 HydrophobicContact CG2-CB 4.42Å; V39-V116 HydrophobicContact CG2-CG1 4Å; V39-V116 HydrophobicContact CG2-CG2 4.22Å; V116-I118 HydrophobicContact CG1-CG1 4.12Å; V116-V161 WeakPolarHBondContact CA-O 3.47Å; V116-L163 HydrophobicContact CG1-CD1 4.1Å; V116-L163 HydrophobicContact CG1-CG 4.12Å; V116-A322 HydrophobicContact CG1-CB 4.24Å; V116-A322 HydrophobicContact CG2-CB 4.25Å; V116-L326 HydrophobicContact CG2-CD1 3.37Å
117V97.9Very high94.2Very high0 Ų021.9 Ų21.90%013%0.128CC..EExtended strand (participates in β ladder)trans-108.9115.7176.3179.30000109.3L23 L115 L124 A127 I160 V161 G162 L163L23-V117 HydrophobicContact CD1-CG1 3.94Å; L23-V117 HydrophobicContact CD1-CG2 4.48Å; L23-V117 HydrophobicContact CD2-CG2 4.39Å; L23-V117 HydrophobicContact CG-CG2 4.25Å; L115-V117 HydrophobicContact CD2-CG2 3.89Å; L115-V117 HydrophobicContact CG-CG2 3.92Å; V117-L124 HydrophobicContact CB-CD2 4.32Å; V117-L124 HydrophobicContact CG1-CD2 4.13Å; V117-A127 HydrophobicContact CB-CB 4.26Å; V117-A127 HydrophobicContact CG1-CB 4.32Å; V117-A127 HydrophobicContact CG2-CB 3.88Å; V117-I160 HydrophobicContact CG2-CG2 4.28Å; V117-V161 PolarHBondContact N-O 3.16Å; V117-G162 CarbonylContact O-C 3.55Å; V117-G162 WeakPolarHBondContact O-CA 3.39Å; V117-L163 PolarHBondContact O-N 3.49Å
118I97.9Very high93.9Very high0 Ų023.6 Ų23.60%014%0.137CC..EExtended strand (participates in β ladder)trans-103.9119176.5-46.2-178.3000108.6V22 L23 T24 S25 M32 A35 V36 V116 L163V22-I118 HydrophobicContact CG2-CD1 3.79Å; V22-I118 HydrophobicContact CG2-CG1 4.19Å; L23-I118 PolarHBondContact O-N 3.31Å; T24-I118 CarbonylContact C-O 3.47Å; T24-I118 VanDerWaalsContact CA-O 3.26Å; T24-I118 WeakPolarHBondContact CA-O 3.15Å; T24-I118 HydrophobicContact CG2-CB 3.87Å; T24-I118 HydrophobicContact CG2-CD1 4.23Å; T24-I118 HydrophobicContact CG2-CG1 4.45Å; T24-I118 HydrophobicContact CG2-CG2 4.32Å; S25-I118 PolarHBondContact N-O 2.68Å; M32-I118 HydrophobicContact CG-CG2 4.03Å; A35-I118 HydrophobicContact CB-CD1 3.73Å; V36-I118 HydrophobicContact CG2-CD1 3.74Å; V116-I118 HydrophobicContact CG1-CG1 4.12Å; I118-L163 WeakPolarHBondContact CA-O 3.39Å; I118-L163 HydrophobicContact CB-CB 4.4Å; I118-L163 HydrophobicContact CD1-CD1 4.16Å; I118-L163 HydrophobicContact CG1-CB 4.12Å; I118-L163 HydrophobicContact CG1-CD1 4.06Å; I118-L163 HydrophobicContact CG1-CG 4.41Å; I118-L163 HydrophobicContact CG2-CB 4.19Å
119G95.4Very high93.7Very high0 Ų027 Ų270%015%0.154CC..EExtended strand (participates in β ladder)trans172.5-172.718000000114.4S25 L163 V164 G165S25-G119 WeakPolarHBondContact O-CA 3.2Å; G119-L163 PolarHBondContact N-O 3.18Å; G119-V164 WeakPolarHBondContact O-CA 3.5Å; G119-G165 CarbonylContact C-O 3.6Å; G119-G165 VanDerWaalsContact C-O 3.28Å; G119-G165 PolarHBondContact O-N 3Å
120G92.5Very high93.8Very high9 Ų921.2 Ų21.29%0.09313%0.129CC..  trans-77.7-175.6175.900000114G122 S123 L124 G165G120-G122 VanDerWaalsContact C-N 3.32Å; G120-G122 PolarHBondContact O-N 2.89Å; G120-S123 WeakPolarHBondContact O-CB 3.5Å; G120-S123 PolarHBondContact O-N 3.13Å; G120-S123 VanDerWaalsContact O-N 3.07Å; G120-L124 PolarHBondContact O-N 3.36Å; G120-L124 VanDerWaalsContact O-N 3.13Å; G120-G165 PolarHBondContact N-O 3.24Å
121D87.7Confident93.6Very high45 Ų4521.7 Ų21.724%0.24113%0.127CC..Hα-helixtrans-46.3-47.5177.570.5-47.5000114.3S123 L124 T125 F171 R212 T359D121-S123 VanDerWaalsContact C-N 3.35Å; D121-S123 PolarHBondContact O-N 3.22Å; D121-L124 PolarHBondContact O-N 3.02Å; D121-T125 WeakPolarHBondContact O-CB 3.27Å; D121-T125 PolarHBondContact O-N 2.95Å; D121-T125 PolarHBondContact O-OG1 2.86Å; D121-F171 HydrophobicContact CB-CD2 4.07Å; D121-R212 IonicContact OD1-CZ 3.97Å; D121-R212 IonicContact OD1-NH1 3.59Å; D121-R212 PolarHBondContact OD1-NH1 3.26Å; D121-R212 IonicContact OD1-NH2 3.48Å; D121-R212 IonicContact OD2-NH1 3.53Å; D121-T359 HydrophobicContact CB-CG2 4.35Å
122G87.8Confident93.5Very high46 Ų4620.6 Ų20.647%0.47414%0.136SC..Hα-helixtrans-65.9-37.2-178.600000112.7G120 G126G120-G122 VanDerWaalsContact C-N 3.32Å; G120-G122 PolarHBondContact O-N 2.89Å; G122-G126 PolarHBondContact O-N 3.41Å
123S93.3Very high93.4Very high7 Ų722.3 Ų22.35%0.04914%0.144CC..Hα-helixtrans-67.2-46.2177.2-62.10000110.7S25 Y57 G120 D121 T125 G126 A127S25-S123 VanDerWaalsContact CB-OG 3.26Å; S25-S123 WeakPolarHBondContact CB-OG 3.21Å; S25-S123 PolarHBondContact O-OG 3.33Å; S25-S123 PolarHBondContact OG-OG 3.33Å; Y57-S123 PolarHBondContact OH-O 3.32Å; G120-S123 WeakPolarHBondContact O-CB 3.5Å; G120-S123 PolarHBondContact O-N 3.13Å; G120-S123 VanDerWaalsContact O-N 3.07Å; D121-S123 VanDerWaalsContact C-N 3.35Å; D121-S123 PolarHBondContact O-N 3.22Å; S123-T125 VanDerWaalsContact C-N 3.33Å; S123-T125 PolarHBondContact O-N 3.32Å; S123-G126 PolarHBondContact O-N 2.69Å; S123-A127 PolarHBondContact O-N 2.83Å
124L92.7Very high93.5Very high0 Ų021.7 Ų21.70%014%0.14CC..Hα-helixtrans-67.4-34.3179.9-64.4-174.4000112.6V117 G120 D121 A127 N128 G162 V164 F171 V339 L352V117-L124 HydrophobicContact CB-CD2 4.32Å; V117-L124 HydrophobicContact CG1-CD2 4.13Å; G120-L124 PolarHBondContact O-N 3.36Å; G120-L124 VanDerWaalsContact O-N 3.13Å; D121-L124 PolarHBondContact O-N 3.02Å; L124-A127 WeakPolarHBondContact O-CB 3.34Å; L124-A127 PolarHBondContact O-N 2.62Å; L124-N128 PolarHBondContact O-N 3.01Å; L124-G162 VanDerWaalsContact CD2-CA 3.47Å; L124-V164 HydrophobicContact CD1-CG2 3.78Å; L124-F171 HydrophobicContact CB-CE2 4.21Å; L124-F171 HydrophobicContact CB-CZ 4.42Å; L124-F171 HydrophobicContact CD1-CD2 4.33Å; L124-F171 HydrophobicContact CD1-CE1 4.15Å; L124-F171 HydrophobicContact CD1-CE2 3.76Å; L124-F171 HydrophobicContact CD1-CZ 3.64Å; L124-V339 HydrophobicContact CD1-CG1 4.44Å; L124-V339 HydrophobicContact CD1-CG2 4.15Å; L124-L352 HydrophobicContact CB-CD1 3.92Å
125T89.2Confident93.4Very high38 Ų3825.1 Ų25.123%0.23316%0.164CC..Hα-helixtrans-61.9-46.4170.9-59.50000111.5D121 S123 A127 N128 L129 V356D121-T125 WeakPolarHBondContact O-CB 3.27Å; D121-T125 PolarHBondContact O-N 2.95Å; D121-T125 PolarHBondContact O-OG1 2.86Å; S123-T125 VanDerWaalsContact C-N 3.33Å; S123-T125 PolarHBondContact O-N 3.32Å; T125-A127 VanDerWaalsContact C-N 3.33Å; T125-A127 PolarHBondContact O-N 3.3Å; T125-N128 PolarHBondContact O-N 3.46Å; T125-L129 PolarHBondContact O-N 2.82Å; T125-L129 VanDerWaalsContact O-N 3.1Å; T125-V356 HydrophobicContact CG2-CG1 4.19Å; T125-V356 WeakPolarHBondContact OG1-CG1 3.26Å
126G91.8Very high93.3Very high18 Ų1827.4 Ų27.419%0.18618%0.18CC..Hα-helixtrans-62.2-39.5176.300000112.6G122 S123 L129 F130G122-G126 PolarHBondContact O-N 3.41Å; S123-G126 PolarHBondContact O-N 2.69Å; G126-L129 PolarHBondContact O-N 2.7Å; G126-F130 WeakPolarHBondContact O-CB 3.24Å; G126-F130 PolarHBondContact O-N 2.97Å
127A93.5Very high93.2Very high0 Ų027.4 Ų27.40%018%0.18CC..Hα-helixtrans-60.8-46.6174.900000111.7Y57 V117 S123 L124 T125 L129 F130 R131 I160Y57-A127 WeakPolarHBondContact OH-CA 3.49Å; Y57-A127 WeakPolarHBondContact OH-CB 3.18Å; Y57-A127 PolarHBondContact OH-N 2.97Å; V117-A127 HydrophobicContact CB-CB 4.26Å; V117-A127 HydrophobicContact CG1-CB 4.32Å; V117-A127 HydrophobicContact CG2-CB 3.88Å; S123-A127 PolarHBondContact O-N 2.83Å; L124-A127 WeakPolarHBondContact O-CB 3.34Å; L124-A127 PolarHBondContact O-N 2.62Å; T125-A127 VanDerWaalsContact C-N 3.33Å; T125-A127 PolarHBondContact O-N 3.3Å; A127-L129 PolarHBondContact O-N 2.85Å; A127-F130 PolarHBondContact O-N 3.37Å; A127-R131 PolarHBondContact O-N 2.99Å; A127-I160 HydrophobicContact CB-CD1 4.21Å; A127-I160 HydrophobicContact CB-CG2 3.95Å; A127-I160 WeakPolarHBondContact O-CD1 3.35Å
128N90.4Very high93.1Very high36 Ų3627.8 Ų27.819%0.19318%0.182CC..Hα-helixtrans-60.2-46.3178-173.954.6000112.2L124 T125 F130 R131 A132 L352 V353L124-N128 PolarHBondContact O-N 3.01Å; T125-N128 PolarHBondContact O-N 3.46Å; N128-F130 VanDerWaalsContact C-N 3.32Å; N128-F130 PolarHBondContact O-N 3.49Å; N128-R131 PolarHBondContact O-N 2.81Å; N128-A132 WeakPolarHBondContact O-CB 3.36Å; N128-A132 PolarHBondContact O-N 2.74Å; N128-L352 HydrophobicContact CB-CD2 3.75Å; N128-L352 HydrophobicContact CB-CG 4.14Å; N128-V353 WeakPolarHBondContact OD1-CG2 3.45Å
129L91.9Very high93Very high78 Ų7833.9 Ų33.941%0.40821%0.21SC..Hα-helixtrans-60.1-44176.818062.7000111.3T125 G126 A127 R131 A132 E133T125-L129 PolarHBondContact O-N 2.82Å; T125-L129 VanDerWaalsContact O-N 3.1Å; G126-L129 PolarHBondContact O-N 2.7Å; A127-L129 PolarHBondContact O-N 2.85Å; L129-R131 PolarHBondContact O-N 2.88Å; L129-A132 PolarHBondContact O-N 3Å; L129-E133 HydrophobicContact CD1-CG 4.13Å; L129-E133 PolarHBondContact O-N 3.22Å
130F95.4Very high93Very high0 Ų037.6 Ų37.60%023%0.227CC..Hα-helixtrans-62.2-41.3-179.6-174.6-131.3000112.7L60 F94 R100 A103 A104 L107 G126 A127 N128 W134 L137 L158 I160L60-F130 HydrophobicContact CD2-CE1 4.25Å; F94-F130 HydrophobicContact CE1-CB 4.22Å; F94-F130 HydrophobicContact CE1-CG 4.41Å; F94-F130 HydrophobicContact CE2-CD2 4.15Å; F94-F130 HydrophobicContact CE2-CE2 4.16Å; F94-F130 HydrophobicContact CE2-CG 4.35Å; F94-F130 HydrophobicContact CE2-CZ 4.34Å; F94-F130 HydrophobicContact CZ-CB 3.85Å; F94-F130 AromaticContact CZ-CD1 3.89Å; F94-F130 HydrophobicContact CZ-CD1 3.89Å; F94-F130 AromaticContact CZ-CD2 3.73Å; F94-F130 HydrophobicContact CZ-CD2 3.73Å; F94-F130 HydrophobicContact CZ-CE1 4.31Å; F94-F130 HydrophobicContact CZ-CE2 4.17Å; F94-F130 AromaticContact CZ-CG 3.56Å; F94-F130 HydrophobicContact CZ-CG 3.56Å; F94-F130 HydrophobicContact CZ-CZ 4.41Å; R100-F130 HydrophobicContact CB-CD2 3.97Å; R100-F130 HydrophobicContact CB-CE2 4.08Å; R100-F130 HydrophobicContact CG-CD2 4.18Å; R100-F130 WeakPolarHBondContact O-CE2 3.41Å; A103-F130 HydrophobicContact CB-CE2 4.17Å; A103-F130 HydrophobicContact CB-CZ 3.85Å; A104-F130 HydrophobicContact CB-CE2 4.21Å; A104-F130 HydrophobicContact CB-CZ 4.23Å; L107-F130 HydrophobicContact CD1-CE1 3.72Å; L107-F130 HydrophobicContact CD1-CZ 4.04Å; G126-F130 WeakPolarHBondContact O-CB 3.24Å; G126-F130 PolarHBondContact O-N 2.97Å; A127-F130 PolarHBondContact O-N 3.37Å; N128-F130 VanDerWaalsContact C-N 3.32Å; N128-F130 PolarHBondContact O-N 3.49Å; F130-W134 HydrophobicContact CE1-CE3 4.31Å; F130-W134 AromaticContact CE1-CZ3 3.92Å; F130-W134 HydrophobicContact CE1-CZ3 3.92Å; F130-W134 HydrophobicContact CE2-CE3 4.26Å; F130-W134 HydrophobicContact CE2-CZ3 4.13Å; F130-W134 HydrophobicContact CZ-CE3 4.03Å; F130-W134 AromaticContact CZ-CZ3 3.54Å; F130-W134 HydrophobicContact CZ-CZ3 3.54Å; F130-W134 PolarHBondContact O-N 3.07Å; F130-L137 HydrophobicContact CD2-CD1 3.82Å; F130-L137 HydrophobicContact CE2-CD1 3.71Å; F130-L158 HydrophobicContact CD1-CD2 3.59Å; F130-L158 HydrophobicContact CE1-CD2 3.63Å; F130-L158 HydrophobicContact CG-CD2 4.47Å; F130-I160 HydrophobicContact CD1-CD1 4.48Å
131R92.3Very high93.2Very high60 Ų6037.1 Ų37.123%0.22622%0.223CC..Hα-helixtrans-64.4-43.8172.9179.2176.3-178-120.811.1112.2A127 N128 L129 E133 W134 L158 I160 L335 S337A127-R131 PolarHBondContact O-N 2.99Å; N128-R131 PolarHBondContact O-N 2.81Å; L129-R131 PolarHBondContact O-N 2.88Å; R131-E133 VanDerWaalsContact C-N 3.29Å; R131-E133 PolarHBondContact O-N 3.26Å; R131-W134 VanDerWaalsContact O-CB 3.23Å; R131-W134 WeakPolarHBondContact O-CB 3.24Å; R131-W134 PolarHBondContact O-N 2.72Å; R131-L158 PolarHBondContact NE-O 3.28Å; R131-I160 HydrophobicContact CB-CD1 3.78Å; R131-I160 HydrophobicContact CB-CG1 4.24Å; R131-L335 PolarHBondContact NH2-O 3.1Å; R131-S337 WeakPolarHBondContact CD-OG 3.43Å; R131-S337 VanDerWaalsContact CZ-OG 3.25Å; R131-S337 PolarHBondContact NE-OG 3.44Å; R131-S337 VanDerWaalsContact NE-OG 3.1Å; R131-S337 PolarHBondContact NH1-OG 3.37Å
132A91.1Very high93.6Very high79 Ų7937 Ų3765%0.65322%0.223SC*.Hα-helixtrans-63.6-36-179.600000112.2N128 L129 W134N128-A132 WeakPolarHBondContact O-CB 3.36Å; N128-A132 PolarHBondContact O-N 2.74Å; L129-A132 PolarHBondContact O-N 3Å; A132-W134 VanDerWaalsContact C-N 3.34Å
133E94.7Very high93.9Very high36 Ų3640.3 Ų40.317%0.16824%0.235CC..Hα-helixtrans-82.6-7.5177.6-69-174.8-178.900113.8R100 L129 R131 S135 S136 L137R100-E133 IonicContact CZ-OE1 3.31Å; R100-E133 IonicContact CZ-OE2 2.68Å; R100-E133 VanDerWaalsContact CZ-OE2 3.26Å; R100-E133 IonicContact NE-OE1 2.69Å; R100-E133 IonicContact NE-OE2 3.21Å; R100-E133 PolarHBondContact NE-OE2 3.48Å; R100-E133 IonicContact NH2-OE1 3.93Å; R100-E133 PolarHBondContact NH2-OE1 3.04Å; R100-E133 IonicContact NH2-OE2 3.31Å; R100-E133 PolarHBondContact NH2-OE2 3.17Å; L129-E133 HydrophobicContact CD1-CG 4.13Å; L129-E133 PolarHBondContact O-N 3.22Å; R131-E133 VanDerWaalsContact C-N 3.29Å; R131-E133 PolarHBondContact O-N 3.26Å; E133-S135 PolarHBondContact O-N 3.27Å; E133-S136 WeakPolarHBondContact O-CB 3.4Å; E133-S136 PolarHBondContact O-N 2.84Å; E133-L137 HydrophobicContact CB-CD1 4.1Å; E133-L137 HydrophobicContact CB-CG 4.17Å; E133-L137 WeakPolarHBondContact O-CG 3.28Å; E133-L137 PolarHBondContact O-N 2.9Å
134W95Very high93.9Very high4 Ų442.7 Ų42.72%0.01525%0.251CS..Hα-helixtrans-51-53.2-168-172.6-108.7000113.9A104 L107 V108 F130 R131 A132 S136 L137 L138 F155 H156 L158A104-W134 HydrophobicContact CB-CE3 4.11Å; A104-W134 HydrophobicContact CB-CH2 3.95Å; A104-W134 HydrophobicContact CB-CZ3 3.47Å; A104-W134 VanDerWaalsContact CB-CZ3 3.47Å; L107-W134 HydrophobicContact CB-CH2 3.98Å; L107-W134 HydrophobicContact CD1-CH2 3.93Å; L107-W134 HydrophobicContact CD1-CZ3 3.99Å; V108-W134 HydrophobicContact CG2-CH2 4.35Å; V108-W134 HydrophobicContact CG2-CZ2 4.14Å; F130-W134 HydrophobicContact CE1-CE3 4.31Å; F130-W134 AromaticContact CE1-CZ3 3.92Å; F130-W134 HydrophobicContact CE1-CZ3 3.92Å; F130-W134 HydrophobicContact CE2-CE3 4.26Å; F130-W134 HydrophobicContact CE2-CZ3 4.13Å; F130-W134 HydrophobicContact CZ-CE3 4.03Å; F130-W134 AromaticContact CZ-CZ3 3.54Å; F130-W134 HydrophobicContact CZ-CZ3 3.54Å; F130-W134 PolarHBondContact O-N 3.07Å; R131-W134 VanDerWaalsContact O-CB 3.23Å; R131-W134 WeakPolarHBondContact O-CB 3.24Å; R131-W134 PolarHBondContact O-N 2.72Å; A132-W134 VanDerWaalsContact C-N 3.34Å; W134-S136 VanDerWaalsContact C-N 3.29Å; W134-S136 PolarHBondContact O-N 2.92Å; W134-L137 WeakPolarHBondContact O-CB 3.26Å; W134-L137 PolarHBondContact O-N 3.34Å; W134-L137 VanDerWaalsContact O-N 3.14Å; W134-L138 HydrophobicContact CZ2-CD2 4.19Å; W134-L138 WeakPolarHBondContact O-CG 3.14Å; W134-L138 PolarHBondContact O-N 2.83Å; W134-F155 PolarHBondContact NE1-O 3.42Å; W134-H156 VanDerWaalsContact CD1-O 3.31Å; W134-L158 HydrophobicContact CB-CB 4.4Å; W134-L158 HydrophobicContact CD2-CB 3.55Å; W134-L158 HydrophobicContact CD2-CD2 4.07Å; W134-L158 HydrophobicContact CD2-CG 4.36Å; W134-L158 HydrophobicContact CE3-CB 4Å; W134-L158 HydrophobicContact CE3-CD2 3.6Å; W134-L158 HydrophobicContact CE3-CG 4.32Å; W134-L158 HydrophobicContact CG-CB 3.72Å; W134-L158 HydrophobicContact CH2-CD1 4.38Å; W134-L158 HydrophobicContact CZ2-CB 4.26Å; W134-L158 HydrophobicContact CZ3-CD1 4.49Å; W134-L158 HydrophobicContact CZ3-CD2 3.84Å
135S94Very high93.9Very high72 Ų7249.7 Ų49.750%0.50329%0.289SS..Hα-helixtrans-58.8-42.4-179.7-50.60000112E133 L137 L138 E139E133-S135 PolarHBondContact O-N 3.27Å; S135-L137 PolarHBondContact O-N 2.88Å; S135-L138 PolarHBondContact O-N 2.92Å; S135-E139 WeakPolarHBondContact O-CG 3.37Å; S135-E139 PolarHBondContact O-N 2.77Å
136S96.2Very high94.1Very high48 Ų4853.4 Ų53.434%0.33630%0.302SS..Hα-helixtrans-67.6-35.4179.1-174.50000112.2R97 E133 W134 E140R97-S136 PolarHBondContact NH2-OG 3.29Å; E133-S136 WeakPolarHBondContact O-CB 3.4Å; E133-S136 PolarHBondContact O-N 2.84Å; W134-S136 VanDerWaalsContact C-N 3.29Å; W134-S136 PolarHBondContact O-N 2.92Å; S136-E140 PolarHBondContact O-N 2.87Å
137L96.8Very high94.2Very high0 Ų053.3 Ų53.30%030%0.297CS..Hα-helixtrans-67-40.4174.6-64.1170.5000111.3R97 R100 L101 A104 F130 E133 W134 S135 E140 L141R97-L137 HydrophobicContact CG-CD2 4.18Å; R100-L137 HydrophobicContact CB-CD1 4.05Å; R100-L137 HydrophobicContact CB-CD2 4.33Å; L101-L137 HydrophobicContact CB-CD2 4.36Å; L101-L137 HydrophobicContact CD1-CB 4.35Å; L101-L137 HydrophobicContact CD1-CD2 3.9Å; A104-L137 HydrophobicContact CB-CB 4.21Å; A104-L137 HydrophobicContact CB-CD1 4.34Å; F130-L137 HydrophobicContact CD2-CD1 3.82Å; F130-L137 HydrophobicContact CE2-CD1 3.71Å; E133-L137 HydrophobicContact CB-CD1 4.1Å; E133-L137 HydrophobicContact CB-CG 4.17Å; E133-L137 WeakPolarHBondContact O-CG 3.28Å; E133-L137 PolarHBondContact O-N 2.9Å; W134-L137 WeakPolarHBondContact O-CB 3.26Å; W134-L137 PolarHBondContact O-N 3.34Å; W134-L137 VanDerWaalsContact O-N 3.14Å; S135-L137 PolarHBondContact O-N 2.88Å; L137-E140 PolarHBondContact O-N 2.72Å; L137-L141 WeakPolarHBondContact O-CB 3.43Å; L137-L141 VanDerWaalsContact O-CG 3.28Å; L137-L141 WeakPolarHBondContact O-CG 3.38Å; L137-L141 PolarHBondContact O-N 3.06Å
138L96Very high94.2Very high7 Ų756.1 Ų56.14%0.03732%0.316CS..Hα-helixtrans-65.5-42.2177.4-66.8-177000112.3V108 W134 S135 E140 L141 V142 I147 A152 F155V108-L138 HydrophobicContact CG2-CD2 3.68Å; W134-L138 HydrophobicContact CZ2-CD2 4.19Å; W134-L138 WeakPolarHBondContact O-CG 3.14Å; W134-L138 PolarHBondContact O-N 2.83Å; S135-L138 PolarHBondContact O-N 2.92Å; L138-E140 VanDerWaalsContact C-N 3.29Å; L138-E140 PolarHBondContact O-N 3.44Å; L138-L141 HydrophobicContact CD2-CD1 4.44Å; L138-L141 PolarHBondContact O-N 2.89Å; L138-V142 WeakPolarHBondContact O-CG2 3.4Å; L138-V142 PolarHBondContact O-N 2.76Å; L138-I147 HydrophobicContact CD2-CD1 3.74Å; L138-A152 HydrophobicContact CB-CB 4.45Å; L138-F155 WeakPolarHBondContact CD1-O 3.26Å
139E95.3Very high94.3Very high129 Ų12957.2 Ų57.260%0.60333%0.331SS*.Hα-helixtrans-57.8-43.5175.2-73.4170.6-172.100111.8S135 V142 T143S135-E139 WeakPolarHBondContact O-CG 3.37Å; S135-E139 PolarHBondContact O-N 2.77Å; E139-V142 PolarHBondContact O-N 3.5Å; E139-T143 WeakPolarHBondContact O-CB 3.49Å; E139-T143 PolarHBondContact O-N 3.23Å; E139-T143 PolarHBondContact O-OG1 3.34Å
140E96.3Very high94.3Very high77 Ų7761 Ų6136%0.3635%0.346SS..Hα-helixtrans-67.3-39.2177.6-171.6178.4154.300111.9R97 L101 S136 L137 L138 T143 S144R97-E140 IonicContact CZ-OE2 2.98Å; R97-E140 IonicContact NE-OE2 2.85Å; R97-E140 PolarHBondContact NE-OE2 3.02Å; R97-E140 IonicContact NH2-OE2 2.7Å; R97-E140 PolarHBondContact NH2-OE2 3.49Å; R97-E140 VanDerWaalsContact NH2-OE2 3.07Å; L101-E140 HydrophobicContact CD1-CB 3.8Å; L101-E140 HydrophobicContact CD1-CG 3.76Å; S136-E140 PolarHBondContact O-N 2.87Å; L137-E140 PolarHBondContact O-N 2.72Å; L138-E140 VanDerWaalsContact C-N 3.29Å; L138-E140 PolarHBondContact O-N 3.44Å; E140-T143 PolarHBondContact O-N 3.28Å; E140-S144 WeakPolarHBondContact O-CB 3.44Å; E140-S144 PolarHBondContact O-N 3.02Å; E140-S144 PolarHBondContact O-OG 3.04Å
141L96Very high94.1Very high0 Ų062.6 Ų62.60%036%0.358CS..Hα-helixtrans-66.8-36.1175.3-74.7170.2000113.1L101 A104 E105 L137 L138 S144 N145 K146 I147L101-L141 HydrophobicContact CD1-CD2 4.26Å; L101-L141 HydrophobicContact CD1-CG 3.93Å; L101-L141 HydrophobicContact CD2-CD2 4.05Å; L101-L141 HydrophobicContact CG-CD2 3.75Å; L101-L141 HydrophobicContact CG-CG 3.96Å; A104-L141 HydrophobicContact CB-CD1 3.88Å; E105-L141 HydrophobicContact CB-CD1 4.17Å; E105-L141 HydrophobicContact CB-CD2 3.88Å; E105-L141 HydrophobicContact CG-CD2 4.33Å; L137-L141 WeakPolarHBondContact O-CB 3.43Å; L137-L141 VanDerWaalsContact O-CG 3.28Å; L137-L141 WeakPolarHBondContact O-CG 3.38Å; L137-L141 PolarHBondContact O-N 3.06Å; L138-L141 HydrophobicContact CD2-CD1 4.44Å; L138-L141 PolarHBondContact O-N 2.89Å; L141-S144 WeakPolarHBondContact CA-OG 3.22Å; L141-S144 PolarHBondContact O-OG 3.15Å; L141-N145 PolarHBondContact O-N 3.42Å; L141-K146 HydrophobicContact CB-CB 4.4Å; L141-K146 HydrophobicContact CD2-CB 3.62Å; L141-K146 HydrophobicContact CD2-CG 4.05Å; L141-K146 PolarHBondContact O-N 3.24Å; L141-I147 HydrophobicContact CB-CD1 3.64Å; L141-I147 HydrophobicContact CB-CG1 3.74Å; L141-I147 HydrophobicContact CB-CG2 4.44Å; L141-I147 HydrophobicContact CD1-CD1 4.21Å; L141-I147 PolarHBondContact O-N 3.16Å
142V95.7Very high94.1Very high41 Ų4160.4 Ų60.425%0.24835%0.352CS..Hα-helixtrans-67.7-46.9173.3172.40000110.1L138 E139 S144 N145 I147 A149 A152L138-V142 WeakPolarHBondContact O-CG2 3.4Å; L138-V142 PolarHBondContact O-N 2.76Å; E139-V142 PolarHBondContact O-N 3.5Å; V142-S144 PolarHBondContact O-N 3.32Å; V142-N145 PolarHBondContact O-N 2.98Å; V142-I147 HydrophobicContact CG2-CD1 4.16Å; V142-I147 HydrophobicContact CG2-CG1 3.82Å; V142-A149 HydrophobicContact CG1-CB 4.19Å; V142-A152 HydrophobicContact CG2-CB 3.4Å; V142-A152 VanDerWaalsContact CG2-CB 3.4Å
143T94.7Very high94.1Very high116 Ų11664.6 Ų64.671%0.71236%0.356SS*.Hα-helixtrans-62.1-34.9-179.6-550000111.9E139 E140 N145E139-T143 WeakPolarHBondContact O-CB 3.49Å; E139-T143 PolarHBondContact O-N 3.23Å; E139-T143 PolarHBondContact O-OG1 3.34Å; E140-T143 PolarHBondContact O-N 3.28Å; T143-N145 VanDerWaalsContact C-N 3.3Å; T143-N145 PolarHBondContact O-N 3.38Å
144S93.5Very high93.9Very high57 Ų5769 Ų6940%0.39938%0.376SS..THydrogen-bonded Turntrans-85.57.4176.758.60000114.5E140 L141 V142 K146E140-S144 WeakPolarHBondContact O-CB 3.44Å; E140-S144 PolarHBondContact O-N 3.02Å; E140-S144 PolarHBondContact O-OG 3.04Å; L141-S144 WeakPolarHBondContact CA-OG 3.22Å; L141-S144 PolarHBondContact O-OG 3.15Å; V142-S144 PolarHBondContact O-N 3.32Å; S144-K146 PolarHBondContact O-N 3.26Å; S144-K146 WeakPolarHBondContact OG-CG 3.45Å
145N92.9Very high93.7Very high147 Ų14769.6 Ų69.679%0.78638%0.379SS*.THydrogen-bonded Turntrans54.929.8-178.2-66.6-53.7000114.3L141 V142 T143L141-N145 PolarHBondContact O-N 3.42Å; V142-N145 PolarHBondContact O-N 2.98Å; T143-N145 VanDerWaalsContact C-N 3.3Å; T143-N145 PolarHBondContact O-N 3.38Å
146K93.3Very high93.5Very high116 Ų11671.7 Ų71.750%0.50438%0.381SS..SBendtrans-84-30.2175.9-68-66.6-172.2172.50112.6E105 L141 S144E105-K146 HydrophobicContact CG-CB 4.46Å; L141-K146 HydrophobicContact CB-CB 4.4Å; L141-K146 HydrophobicContact CD2-CB 3.62Å; L141-K146 HydrophobicContact CD2-CG 4.05Å; L141-K146 PolarHBondContact O-N 3.24Å; S144-K146 PolarHBondContact O-N 3.26Å; S144-K146 WeakPolarHBondContact OG-CG 3.45Å
147I93.8Very high93.1Very high17 Ų1771.4 Ų71.49%0.08737%0.372CS..SBendtrans-134.2157.2174.169.4-177.7000109.7V108 L138 L141 V142 A152V108-I147 HydrophobicContact CB-CG2 4.4Å; V108-I147 HydrophobicContact CG1-CB 4.35Å; V108-I147 HydrophobicContact CG1-CD1 4.42Å; V108-I147 HydrophobicContact CG1-CG2 3.91Å; L138-I147 HydrophobicContact CD2-CD1 3.74Å; L141-I147 HydrophobicContact CB-CD1 3.64Å; L141-I147 HydrophobicContact CB-CG1 3.74Å; L141-I147 HydrophobicContact CB-CG2 4.44Å; L141-I147 HydrophobicContact CD1-CD1 4.21Å; L141-I147 PolarHBondContact O-N 3.16Å; V142-I147 HydrophobicContact CG2-CD1 4.16Å; V142-I147 HydrophobicContact CG2-CG1 3.82Å; I147-A152 HydrophobicContact CD1-CB 3.94Å; I147-A152 HydrophobicContact CG1-CB 4.49Å
148S93.4Very high93Very high58 Ų5871.6 Ų71.641%0.40637%0.373SS..  trans-77.4154174.475.10000111.2E150 S151 A152S148-E150 PolarHBondContact O-N 3.29Å; S148-S151 PolarHBondContact O-N 3.33Å; S148-S151 WeakPolarHBondContact OG-CB 3.15Å; S148-S151 PolarHBondContact OG-N 2.65Å; S148-S151 PolarHBondContact OG-OG 3.29Å; S148-A152 PolarHBondContact O-N 2.92Å
149A92Very high92.9Very high60 Ų6071.2 Ų71.250%0.49637%0.371SS..Hα-helixtrans-61.5-27173.700000112.7V142 K153V142-A149 HydrophobicContact CG1-CB 4.19Å; A149-K153 WeakPolarHBondContact O-CG 3.44Å; A149-K153 PolarHBondContact O-N 3.01Å; A149-K153 VanDerWaalsContact O-N 3.16Å
150E93.1Very high92.9Very high156 Ų15665.2 Ų65.273%0.72934%0.343SS*.Hα-helixtrans-71.3-46.5175.3-171.5170.5-16400111.3S148 A152 K153 Q154S148-E150 PolarHBondContact O-N 3.29Å; E150-A152 VanDerWaalsContact C-N 3.31Å; E150-A152 PolarHBondContact O-N 3.38Å; E150-K153 PolarHBondContact O-N 2.93Å; E150-K153 VanDerWaalsContact O-N 3.15Å; E150-Q154 PolarHBondContact O-N 3.47Å
151S91Very high92.9Very high35 Ų3561.7 Ų61.725%0.24533%0.327CS..Hα-helixtrans-61.4-40.6174-61.40000111.6S148 K153 Q154 F155S148-S151 PolarHBondContact O-N 3.33Å; S148-S151 WeakPolarHBondContact OG-CB 3.15Å; S148-S151 PolarHBondContact OG-N 2.65Å; S148-S151 PolarHBondContact OG-OG 3.29Å; S151-K153 VanDerWaalsContact C-N 3.3Å; S151-K153 PolarHBondContact O-N 2.99Å; S151-Q154 PolarHBondContact O-N 3.38Å; S151-F155 WeakPolarHBondContact O-CD2 3.4Å; S151-F155 PolarHBondContact O-N 2.91Å
152A91.7Very high93Very high14 Ų1461.7 Ų61.712%0.11633%0.327CS..Hα-helixtrans-62.2-35.6175.900000112.8L138 V142 I147 S148 E150 H156L138-A152 HydrophobicContact CB-CB 4.45Å; V142-A152 HydrophobicContact CG2-CB 3.4Å; V142-A152 VanDerWaalsContact CG2-CB 3.4Å; I147-A152 HydrophobicContact CD1-CB 3.94Å; I147-A152 HydrophobicContact CG1-CB 4.49Å; S148-A152 PolarHBondContact O-N 2.92Å; E150-A152 VanDerWaalsContact C-N 3.31Å; E150-A152 PolarHBondContact O-N 3.38Å; A152-H156 WeakPolarHBondContact O-CA 3.35Å; A152-H156 WeakPolarHBondContact O-CB 3.47Å; A152-H156 PolarHBondContact O-N 3.23Å; A152-H156 VanDerWaalsContact O-N 3.13Å
153K91.5Very high93Very high167 Ų16759.7 Ų59.773%0.72632%0.315SS*.Hα-helixtrans-71.7-43173.5-77.9-179.4178.5-178.90112.3A149 E150 S151 F155 H156A149-K153 WeakPolarHBondContact O-CG 3.44Å; A149-K153 PolarHBondContact O-N 3.01Å; A149-K153 VanDerWaalsContact O-N 3.16Å; E150-K153 PolarHBondContact O-N 2.93Å; E150-K153 VanDerWaalsContact O-N 3.15Å; S151-K153 VanDerWaalsContact C-N 3.3Å; S151-K153 PolarHBondContact O-N 2.99Å; K153-F155 VanDerWaalsContact C-N 3.34Å; K153-H156 WeakPolarHBondContact O-CB 3.11Å; K153-H156 PolarHBondContact O-ND1 2.95Å
154Q89.7Confident93.1Very high128 Ų12854.3 Ų54.360%0.59828%0.282SS*.Hα-helixtrans-62.8-43.5179.9-173.3177.51.700111.3E150 S151E150-Q154 PolarHBondContact O-N 3.47Å; S151-Q154 PolarHBondContact O-N 3.38Å
155F91.3Very high93.2Very high16 Ų1651.6 Ų51.67%0.0726%0.263CS..THydrogen-bonded Turntrans-105.631.6-176.9-50.4-62.4000112.5V108 Q111 T113 W134 L138 S151 K153 R157V108-F155 HydrophobicContact CG1-CD2 3.89Å; V108-F155 HydrophobicContact CG2-CB 4.29Å; Q111-F155 HydrophobicContact CB-CE1 3.8Å; Q111-F155 HydrophobicContact CB-CZ 3.66Å; Q111-F155 HydrophobicContact CG-CE1 4.33Å; Q111-F155 HydrophobicContact CG-CE2 4.36Å; Q111-F155 HydrophobicContact CG-CZ 3.67Å; T113-F155 HydrophobicContact CG2-CB 4.06Å; T113-F155 HydrophobicContact CG2-CD1 3.53Å; T113-F155 HydrophobicContact CG2-CE1 4.48Å; T113-F155 HydrophobicContact CG2-CG 4.26Å; W134-F155 PolarHBondContact NE1-O 3.42Å; L138-F155 WeakPolarHBondContact CD1-O 3.26Å; S151-F155 WeakPolarHBondContact O-CD2 3.4Å; S151-F155 PolarHBondContact O-N 2.91Å; K153-F155 VanDerWaalsContact C-N 3.34Å; F155-R157 PolarHBondContact O-N 3.41Å
156H89.9Confident93.4Very high116 Ų11645 Ų4554%0.53723%0.229SC..  trans-62.8-12.6-174.470.5-80.8000114.2W134 A152 K153W134-H156 VanDerWaalsContact CD1-O 3.31Å; A152-H156 WeakPolarHBondContact O-CA 3.35Å; A152-H156 WeakPolarHBondContact O-CB 3.47Å; A152-H156 PolarHBondContact O-N 3.23Å; A152-H156 VanDerWaalsContact O-N 3.13Å; K153-H156 WeakPolarHBondContact O-CB 3.11Å; K153-H156 PolarHBondContact O-ND1 2.95Å
157R87.8Confident93.5Very high43 Ų4339.7 Ų39.716%0.16221%0.205CC..  trans-126.6137.5-176.7-167.4171.7178.1-140.5-2.5111.3F155 N159 A329 D332 P333F155-R157 PolarHBondContact O-N 3.41Å; R157-N159 PolarHBondContact NE-OD1 3.37Å; R157-A329 VanDerWaalsContact CZ-O 3.22Å; R157-A329 PolarHBondContact NH1-O 3.13Å; R157-A329 PolarHBondContact NH2-O 3.45Å; R157-D332 PolarHBondContact NH2-O 3.01Å; R157-P333 VanDerWaalsContact NH1-CA 3.33Å; R157-P333 VanDerWaalsContact NH2-C 3.28Å; R157-P333 VanDerWaalsContact NH2-CA 3.28Å; R157-P333 PolarHBondContact NH2-O 3.34Å
158L93.4Very high93.6Very high3 Ų339 Ų392%0.01620%0.202CC..  trans-113.3116.4170.2-177.169.5000109.1L107 T113 L115 F130 R131 W134 I160L107-L158 HydrophobicContact CD1-CD1 4.08Å; T113-L158 WeakPolarHBondContact O-CA 3.48Å; L115-L158 HydrophobicContact CB-CD1 4.34Å; F130-L158 HydrophobicContact CD1-CD2 3.59Å; F130-L158 HydrophobicContact CE1-CD2 3.63Å; F130-L158 HydrophobicContact CG-CD2 4.47Å; R131-L158 PolarHBondContact NE-O 3.28Å; W134-L158 HydrophobicContact CB-CB 4.4Å; W134-L158 HydrophobicContact CD2-CB 3.55Å; W134-L158 HydrophobicContact CD2-CD2 4.07Å; W134-L158 HydrophobicContact CD2-CG 4.36Å; W134-L158 HydrophobicContact CE3-CB 4Å; W134-L158 HydrophobicContact CE3-CD2 3.6Å; W134-L158 HydrophobicContact CE3-CG 4.32Å; W134-L158 HydrophobicContact CG-CB 3.72Å; W134-L158 HydrophobicContact CH2-CD1 4.38Å; W134-L158 HydrophobicContact CZ2-CB 4.26Å; W134-L158 HydrophobicContact CZ3-CD1 4.49Å; W134-L158 HydrophobicContact CZ3-CD2 3.84Å; L158-I160 HydrophobicContact CD2-CD1 3.78Å; L158-I160 HydrophobicContact CD2-CG1 3.99Å; L158-I160 HydrophobicContact CG-CD1 4.27Å; L158-I160 HydrophobicContact CG-CG1 3.91Å
159N94.5Very high93.7Very high0 Ų037 Ų370%019%0.187CC..EExtended strand (participates in β ladder)trans-89.9128.4171.5-57.2-40.9000108.4T113 N114 L115 R157 L326 A329 D330T113-N159 PolarHBondContact O-N 2.81Å; N114-N159 WeakPolarHBondContact OD1-CB 3.43Å; N114-N159 PolarHBondContact OD1-ND2 3.4Å; L115-N159 PolarHBondContact N-O 3.26Å; R157-N159 PolarHBondContact NE-OD1 3.37Å; N159-L326 HydrophobicContact CB-CD2 3.75Å; N159-L326 WeakPolarHBondContact O-CD2 3.5Å; N159-A329 HydrophobicContact CB-CB 4.33Å; N159-D330 WeakPolarHBondContact ND2-CA 3.49Å; N159-D330 PolarHBondContact ND2-OD1 2.81Å
160I95.6Very high93.6Very high3 Ų334.6 Ų34.62%0.01517%0.166CC..EExtended strand (participates in β ladder)trans-125.1132.6177.5-59.7-169.9000109.5L115 V117 A127 F130 R131 L158 S337L115-I160 HydrophobicContact CB-CG1 4.33Å; L115-I160 HydrophobicContact CD2-CD1 4.36Å; L115-I160 WeakPolarHBondContact O-CA 3.35Å; V117-I160 HydrophobicContact CG2-CG2 4.28Å; A127-I160 HydrophobicContact CB-CD1 4.21Å; A127-I160 HydrophobicContact CB-CG2 3.95Å; A127-I160 WeakPolarHBondContact O-CD1 3.35Å; F130-I160 HydrophobicContact CD1-CD1 4.48Å; R131-I160 HydrophobicContact CB-CD1 3.78Å; R131-I160 HydrophobicContact CB-CG1 4.24Å; L158-I160 HydrophobicContact CD2-CD1 3.78Å; L158-I160 HydrophobicContact CD2-CG1 3.99Å; L158-I160 HydrophobicContact CG-CD1 4.27Å; L158-I160 HydrophobicContact CG-CG1 3.91Å; I160-S337 VanDerWaalsContact O-CB 3.32Å; I160-S337 WeakPolarHBondContact O-CB 3.46Å; I160-S337 PolarHBondContact O-OG 3.22Å
161V96.6Very high93.5Very high2 Ų227.4 Ų27.41%0.01213%0.132CC..EExtended strand (participates in β ladder)trans-120.1131.6165.4176.20000109.5L115 V116 V117 A322 A325 L326 C338 I340L115-V161 PolarHBondContact O-N 3.28Å; V116-V161 WeakPolarHBondContact CA-O 3.47Å; V117-V161 PolarHBondContact N-O 3.16Å; V161-A322 HydrophobicContact CB-CB 4.39Å; V161-A322 HydrophobicContact CG1-CB 3.71Å; V161-A325 HydrophobicContact CG1-CB 4.5Å; V161-A325 HydrophobicContact CG2-CB 3.78Å; V161-L326 HydrophobicContact CB-CD2 4.25Å; V161-L326 HydrophobicContact CB-CG 4.16Å; V161-L326 HydrophobicContact CG2-CD2 3.71Å; V161-L326 HydrophobicContact CG2-CG 3.66Å; V161-C338 WeakPolarHBondContact CA-O 3.44Å; V161-I340 HydrophobicContact CG1-CD1 3.84Å; V161-I340 HydrophobicContact CG1-CG1 3.68Å
162G96.5Very high93.4Very high0 Ų025.9 Ų25.90%012%0.121CC..EExtended strand (participates in β ladder)trans-95139.7176.900000112.5V117 L124 C338 V339 I340V117-G162 CarbonylContact O-C 3.55Å; V117-G162 WeakPolarHBondContact O-CA 3.39Å; L124-G162 VanDerWaalsContact CD2-CA 3.47Å; G162-C338 PolarHBondContact N-O 3.41Å; G162-V339 CarbonylContact O-C 3.49Å; G162-V339 VanDerWaalsContact O-CA 3.26Å; G162-V339 WeakPolarHBondContact O-CA 3.47Å; G162-I340 PolarHBondContact O-N 3.25Å
163L97.4Very high93.1Very high0 Ų025.6 Ų25.60%012%0.12CC..EExtended strand (participates in β ladder)trans-119.9131.2164.4-59.5-173.6000108.8A35 V116 V117 I118 G119 G165 I178 M318 A322 I340A35-L163 HydrophobicContact CB-CD1 3.94Å; V116-L163 HydrophobicContact CG1-CD1 4.1Å; V116-L163 HydrophobicContact CG1-CG 4.12Å; V117-L163 PolarHBondContact O-N 3.49Å; I118-L163 WeakPolarHBondContact CA-O 3.39Å; I118-L163 HydrophobicContact CB-CB 4.4Å; I118-L163 HydrophobicContact CD1-CD1 4.16Å; I118-L163 HydrophobicContact CG1-CB 4.12Å; I118-L163 HydrophobicContact CG1-CD1 4.06Å; I118-L163 HydrophobicContact CG1-CG 4.41Å; I118-L163 HydrophobicContact CG2-CB 4.19Å; G119-L163 PolarHBondContact N-O 3.18Å; L163-G165 PolarHBondContact O-N 3.37Å; L163-I178 HydrophobicContact CB-CD1 4.47Å; L163-M318 HydrophobicContact CD1-CB 4.43Å; L163-M318 HydrophobicContact CD2-CB 3.87Å; L163-A322 HydrophobicContact CD1-CB 4.33Å; L163-A322 HydrophobicContact CD2-CB 4.01Å; L163-A322 HydrophobicContact CG-CB 4.33Å; L163-I340 HydrophobicContact CD2-CB 3.54Å; L163-I340 HydrophobicContact CD2-CG1 3.63Å
164V96.2Very high93Very high3 Ų318.1 Ų18.12%0.0189%0.088CC..EExtended strand (participates in β ladder)trans-86.7100.8-177.6-163.30000110.2G119 L124 F171 T174 T177 I178 V339G119-V164 WeakPolarHBondContact O-CA 3.5Å; L124-V164 HydrophobicContact CD1-CG2 3.78Å; V164-F171 HydrophobicContact CG1-CB 3.62Å; V164-F171 HydrophobicContact CG1-CD1 4.39Å; V164-F171 HydrophobicContact CG1-CG 3.96Å; V164-F171 HydrophobicContact CG2-CB 4.22Å; V164-F171 HydrophobicContact CG2-CD1 3.43Å; V164-F171 VanDerWaalsContact CG2-CD1 3.43Å; V164-F171 HydrophobicContact CG2-CE1 3.84Å; V164-F171 HydrophobicContact CG2-CG 3.83Å; V164-T174 HydrophobicContact CG2-CG2 4.46Å; V164-T177 HydrophobicContact CB-CG2 3.84Å; V164-T177 HydrophobicContact CG1-CG2 3.36Å; V164-I178 PolarHBondContact O-N 3.27Å; V164-V339 HydrophobicContact CG2-CG1 3.64Å
165G96.1Very high92.9Very high0 Ų013.4 Ų13.40%07%0.067CC..EExtended strand (participates in β ladder)trans-102100171.200000110.2M32 G119 G120 L163M32-G165 VanDerWaalsContact CE-O 3.27Å; M32-G165 WeakPolarHBondContact CE-O 3.4Å; G119-G165 CarbonylContact C-O 3.6Å; G119-G165 VanDerWaalsContact C-O 3.28Å; G119-G165 PolarHBondContact O-N 3Å; G120-G165 PolarHBondContact N-O 3.24Å; L163-G165 PolarHBondContact O-N 3.37Å
166S95.6Very high92.9Very high9 Ų913.8 Ų13.86%0.0637%0.069CC..EExtended strand (participates in β ladder)trans-156.4144-178.6-174.30000109.4D168 T177 I178 A180S166-D168 PolarHBondContact OG-N 2.86Å; S166-T177 WeakPolarHBondContact O-CB 3.36Å; S166-T177 PolarHBondContact O-OG1 3.08Å; S166-I178 PolarHBondContact N-O 3.33Å; S166-I178 VanDerWaalsContact O-O 3.13Å; S166-A180 PolarHBondContact O-N 3.03Å
167I96.8Very high93.2Very high3 Ų38.3 Ų8.32%0.0154%0.044CC..SBendtrans-81.2-21.7170.564.3160.8000111.9A29 N169 A183 M210 L217 Q302 R303A29-I167 HydrophobicContact CB-CG2 4.11Å; I167-N169 VanDerWaalsContact C-N 3.26Å; I167-N169 PolarHBondContact O-N 3.39Å; I167-A183 HydrophobicContact CB-CB 3.72Å; I167-A183 HydrophobicContact CD1-CB 4.5Å; I167-A183 HydrophobicContact CG2-CB 3.88Å; I167-M210 HydrophobicContact CD1-CB 4Å; I167-M210 HydrophobicContact CD1-SD 4.25Å; I167-L217 HydrophobicContact CB-CD1 4.45Å; I167-L217 HydrophobicContact CD1-CD1 4.33Å; I167-L217 HydrophobicContact CG1-CD1 4.46Å; I167-L217 VanDerWaalsContact O-CD1 3.32Å; I167-L217 WeakPolarHBondContact O-CD1 3.12Å; I167-L217 WeakPolarHBondContact O-CD2 3.42Å; I167-L217 WeakPolarHBondContact O-CG 3.17Å; I167-Q302 HydrophobicContact CD1-CB 4.31Å; I167-R303 HydrophobicContact CD1-CG 3.69Å; I167-R303 HydrophobicContact CG1-CG 4.34Å; I167-R303 HydrophobicContact CG2-CG 4.35Å
168D95.3Very high93.6Very high4 Ų46.3 Ų6.32%0.0214%0.036CC..SBendtrans-74-20.1-166.7-58.4-32.5000112.5S166 D170 G211 R212S166-D168 PolarHBondContact OG-N 2.86Å; D168-D170 HydrophobicContact CB-CB 4.12Å; D168-D170 PolarHBondContact O-N 2.77Å; D168-G211 WeakPolarHBondContact OD1-CA 3.28Å; D168-G211 PolarHBondContact OD1-N 2.92Å; D168-R212 IonicContact OD2-NE 2.73Å
169N94.6Very high93.8Very high15 Ų156.1 Ų6.18%0.084%0.036CC..  trans49.841.2-171.9-152.440.7000113.9I167 D175 M176 T177 A180 Y216I167-N169 VanDerWaalsContact C-N 3.26Å; I167-N169 PolarHBondContact O-N 3.39Å; N169-D175 PolarHBondContact ND2-O 3.25Å; N169-D175 VanDerWaalsContact ND2-O 3.11Å; N169-M176 WeakPolarHBondContact OD1-CA 3.34Å; N169-T177 VanDerWaalsContact CA-OG1 3.24Å; N169-T177 WeakPolarHBondContact CA-OG1 3.33Å; N169-T177 PolarHBondContact N-OG1 2.65Å; N169-T177 WeakPolarHBondContact OD1-CG2 3.47Å; N169-T177 PolarHBondContact OD1-N 3.18Å; N169-T177 PolarHBondContact OD1-OG1 3.41Å; N169-A180 HydrophobicContact CB-CB 3.94Å; N169-Y216 HydrophobicContact CB-CD1 3.51Å; N169-Y216 HydrophobicContact CB-CD2 4.4Å; N169-Y216 HydrophobicContact CB-CE1 3.99Å; N169-Y216 HydrophobicContact CB-CG 3.76Å; N169-Y216 WeakPolarHBondContact ND2-CD2 3.36Å; N169-Y216 WeakPolarHBondContact ND2-CE1 3.41Å; N169-Y216 WeakPolarHBondContact ND2-CE2 3.44Å; N169-Y216 VanDerWaalsContact ND2-CZ 3.26Å
170D91.7Very high93.9Very high10 Ų106.1 Ų6.15%0.0534%0.036CC..  trans-100.9-3.7-171.268.5-22.7000114.4D168 R212 C214 R378D168-D170 HydrophobicContact CB-CB 4.12Å; D168-D170 PolarHBondContact O-N 2.77Å; D170-R212 IonicContact OD2-NH1 3.63Å; D170-R212 PolarHBondContact OD2-NH1 3.39Å; D170-C214 HydrophobicContact CB-CB 3.68Å; D170-R378 PolarHBondContact O-NH1 3.19Å
171F90Very high94Very high5 Ų56.3 Ų6.32%0.0224%0.036CC..  trans-85.4118.4-178.3-164.9-97.8000111.8D121 L124 V164 T177 V339 C355 V356D121-F171 HydrophobicContact CB-CD2 4.07Å; L124-F171 HydrophobicContact CB-CE2 4.21Å; L124-F171 HydrophobicContact CB-CZ 4.42Å; L124-F171 HydrophobicContact CD1-CD2 4.33Å; L124-F171 HydrophobicContact CD1-CE1 4.15Å; L124-F171 HydrophobicContact CD1-CE2 3.76Å; L124-F171 HydrophobicContact CD1-CZ 3.64Å; V164-F171 HydrophobicContact CG1-CB 3.62Å; V164-F171 HydrophobicContact CG1-CD1 4.39Å; V164-F171 HydrophobicContact CG1-CG 3.96Å; V164-F171 HydrophobicContact CG2-CB 4.22Å; V164-F171 HydrophobicContact CG2-CD1 3.43Å; V164-F171 VanDerWaalsContact CG2-CD1 3.43Å; V164-F171 HydrophobicContact CG2-CE1 3.84Å; V164-F171 HydrophobicContact CG2-CG 3.83Å; F171-T177 HydrophobicContact CB-CG2 4.35Å; F171-V339 HydrophobicContact CE1-CB 4.46Å; F171-V339 HydrophobicContact CE1-CG1 4.07Å; F171-V339 HydrophobicContact CE1-CG2 4.09Å; F171-V339 HydrophobicContact CZ-CG2 4.14Å; F171-C355 HydrophobicContact CD1-CB 4.35Å; F171-C355 HydrophobicContact CE1-CB 3.39Å; F171-C355 HydrophobicContact CZ-CB 3.55Å; F171-V356 HydrophobicContact CE2-CG2 4.35Å; F171-V356 HydrophobicContact CZ-CG2 4.37Å
172C88.8Confident94.1Very high2 Ų26.3 Ų6.31%0.0144%0.037CC..THydrogen-bonded Turntrans-69136.8-179.6-67.60000111.6C355 R358 T359 V362 L377C172-C355 VanDerWaalsContact O-CB 3.3Å; C172-C355 WeakPolarHBondContact O-CB 3.35Å; C172-R358 HydrophobicContact CB-CB 3.85Å; C172-R358 HydrophobicContact CB-CG 3.72Å; C172-T359 PolarHBondContact N-OG1 2.96Å; C172-T359 VanDerWaalsContact N-OG1 3.09Å; C172-V362 VanDerWaalsContact SG-CG2 3.59Å; C172-L377 PolarHBondContact SG-O 3.25Å; C172-L377 VanDerWaalsContact SG-O 3.38Å
173G84.9Confident94.2Very high9 Ų96.3 Ų6.39%0.0934%0.037CC..THydrogen-bonded Turntrans102.25.6177.600000114.8S341 R780G173-S341 WeakPolarHBondContact O-CB 3.45Å; G173-S341 PolarHBondContact O-OG 2.95Å; G173-R780 PolarHBondContact O-NH2 3.45Å
174T89.4Confident94.2Very high9 Ų96.6 Ų6.66%0.0554%0.038CC..  trans-132.2144166.3-168.60000109.8V164 M176 T177 L342V164-T174 HydrophobicContact CG2-CG2 4.46Å; T174-M176 PolarHBondContact OG1-O 3.29Å; T174-T177 HydrophobicContact CG2-CG2 3.61Å; T174-L342 PolarHBondContact OG1-N 3.21Å
175D88.1Confident94.3Very high30 Ų308 Ų816%0.165%0.045CC..SBendtrans-77-29.8175.9-74.4-20.9000112.8N169 L342 G344 R780N169-D175 PolarHBondContact ND2-O 3.25Å; N169-D175 VanDerWaalsContact ND2-O 3.11Å; D175-L342 PolarHBondContact N-O 3.46Å; D175-G344 PolarHBondContact OD2-N 3.01Å; D175-R780 IonicContact OD1-CZ 3.91Å; D175-R780 IonicContact OD1-NH1 2.64Å; D175-R780 PolarHBondContact OD1-NH1 3.39Å; D175-R780 IonicContact OD1-NH2 2.8Å
176M92.2Very high94.4Very high24 Ų2411.4 Ų11.412%0.1186%0.057CC..  trans-142.4138.6178.4-162.664.979.600110.3N169 T174 A180 Y216 F310 L342N169-M176 WeakPolarHBondContact OD1-CA 3.34Å; T174-M176 PolarHBondContact OG1-O 3.29Å; M176-A180 HydrophobicContact SD-CB 3.63Å; M176-Y216 WeakPolarHBondContact CE-OH 3.35Å; M176-Y216 HydrophobicContact SD-CE1 4.22Å; M176-F310 HydrophobicContact CB-CE1 4.23Å; M176-F310 HydrophobicContact CB-CZ 4.28Å; M176-F310 HydrophobicContact CG-CE1 3.62Å; M176-F310 HydrophobicContact CG-CZ 4.13Å; M176-L342 HydrophobicContact CB-CD2 4.09Å
177T95.4Very high94.6Very high1 Ų111 Ų111%0.0065%0.054CC..  trans-101.8150.3174.248.40000109.7V164 S166 N169 F171 T174 G179 A180V164-T177 HydrophobicContact CB-CG2 3.84Å; V164-T177 HydrophobicContact CG1-CG2 3.36Å; S166-T177 WeakPolarHBondContact O-CB 3.36Å; S166-T177 PolarHBondContact O-OG1 3.08Å; N169-T177 VanDerWaalsContact CA-OG1 3.24Å; N169-T177 WeakPolarHBondContact CA-OG1 3.33Å; N169-T177 PolarHBondContact N-OG1 2.65Å; N169-T177 WeakPolarHBondContact OD1-CG2 3.47Å; N169-T177 PolarHBondContact OD1-N 3.18Å; N169-T177 PolarHBondContact OD1-OG1 3.41Å; F171-T177 HydrophobicContact CB-CG2 4.35Å; T174-T177 HydrophobicContact CG2-CG2 3.61Å; T177-G179 PolarHBondContact O-N 2.51Å; T177-G179 VanDerWaalsContact O-N 3.12Å; T177-A180 PolarHBondContact O-N 2.57Å
178I97.4Very high94.6Very high0 Ų011 Ų110%06%0.055CC..EExtended strand (participates in β ladder)trans-64.9115.8179.5-59.3165.9000108.5A29 G31 A35 L163 V164 S166 L314 M318A29-I178 WeakPolarHBondContact CB-O 3.46Å; G31-I178 VanDerWaalsContact C-CG2 3.44Å; A35-I178 HydrophobicContact CB-CD1 4.1Å; L163-I178 HydrophobicContact CB-CD1 4.47Å; V164-I178 PolarHBondContact O-N 3.27Å; S166-I178 PolarHBondContact N-O 3.33Å; S166-I178 VanDerWaalsContact O-O 3.13Å; I178-L314 HydrophobicContact CG1-CD2 3.98Å; I178-L314 HydrophobicContact CG1-CG 4.18Å; I178-M318 HydrophobicContact CD1-SD 3.85Å; I178-M318 HydrophobicContact CG1-SD 3.87Å
179G97.2Very high94.6Very high0 Ų015.9 Ų15.90%08%0.077CC..EExtended strand (participates in β ladder)trans107.5-13.3177.700000115Q30 T177 S182 A183 D311Q30-G179 WeakPolarHBondContact O-CA 3.34Å; Q30-G179 PolarHBondContact O-N 2.88Å; T177-G179 PolarHBondContact O-N 2.51Å; T177-G179 VanDerWaalsContact O-N 3.12Å; G179-S182 PolarHBondContact O-N 3.22Å; G179-A183 WeakPolarHBondContact O-CB 3.44Å; G179-A183 PolarHBondContact O-N 2.99Å; G179-D311 WeakPolarHBondContact CA-OD2 3.18Å; G179-D311 PolarHBondContact N-OD1 3.32Å; G179-D311 PolarHBondContact N-OD2 2.93Å
180A97.1Very high94.7Very high0 Ų016.3 Ų16.30%08%0.083CC..Hα-helixtrans-64.4-41.1178.400000112S166 N169 M176 T177 A183 L184S166-A180 PolarHBondContact O-N 3.03Å; N169-A180 HydrophobicContact CB-CB 3.94Å; M176-A180 HydrophobicContact SD-CB 3.63Å; T177-A180 PolarHBondContact O-N 2.57Å; A180-A183 PolarHBondContact O-N 3.25Å; A180-L184 WeakPolarHBondContact O-CG 3.44Å; A180-L184 PolarHBondContact O-N 2.98Å
181D97.6Very high95Very high6 Ų615.9 Ų15.93%0.0328%0.08CC..Hα-helixtrans-65.9-45176.3-179.770.4000111.6A183 L184 H185 S308 F310D181-A183 VanDerWaalsContact C-N 3.3Å; D181-A183 PolarHBondContact O-N 2.92Å; D181-L184 WeakPolarHBondContact O-CA 3.43Å; D181-L184 WeakPolarHBondContact O-CB 3.27Å; D181-L184 PolarHBondContact O-N 2.94Å; D181-H185 PolarHBondContact O-CD2 3.16Å; D181-H185 PolarHBondContact O-N 2.82Å; D181-H185 IonicContact OD2-CD2 3.64Å; D181-H185 IonicContact OD2-NE2 2.99Å; D181-S308 WeakPolarHBondContact OD2-CB 3.47Å; D181-S308 PolarHBondContact OD2-OG 3.24Å; D181-F310 HydrophobicContact CB-CD1 3.75Å; D181-F310 HydrophobicContact CB-CE1 4.43Å; D181-F310 HydrophobicContact CB-CG 4.48Å
182S98.4Very high95.2Very high3 Ų316.7 Ų16.72%0.0219%0.085CC..Hα-helixtrans-58.8-40.4174.9-63.20000112.5G179 H185 R186 P307 S308 D311G179-S182 PolarHBondContact O-N 3.22Å; S182-H185 WeakPolarHBondContact O-CB 3.12Å; S182-H185 PolarHBondContact O-N 3.42Å; S182-R186 WeakPolarHBondContact O-CG 3.4Å; S182-R186 PolarHBondContact O-N 3.04Å; S182-R186 VanDerWaalsContact O-N 3.17Å; S182-P307 WeakPolarHBondContact OG-CA 3.39Å; S182-S308 PolarHBondContact OG-N 3.24Å; S182-D311 WeakPolarHBondContact CB-OD2 3.21Å; S182-D311 PolarHBondContact N-OD2 3.39Å; S182-D311 PolarHBondContact OG-OD2 3.43Å
183A98.4Very high95.5Very high0 Ų019.2 Ų19.20%011%0.106CC..Hα-helixtrans-63-41.8174.600000111.7I167 G179 A180 D181 H185 R186 I187 L217 Q302I167-A183 HydrophobicContact CB-CB 3.72Å; I167-A183 HydrophobicContact CD1-CB 4.5Å; I167-A183 HydrophobicContact CG2-CB 3.88Å; G179-A183 WeakPolarHBondContact O-CB 3.44Å; G179-A183 PolarHBondContact O-N 2.99Å; A180-A183 PolarHBondContact O-N 3.25Å; D181-A183 VanDerWaalsContact C-N 3.3Å; D181-A183 PolarHBondContact O-N 2.92Å; A183-H185 VanDerWaalsContact C-N 3.31Å; A183-H185 PolarHBondContact O-N 2.89Å; A183-R186 WeakPolarHBondContact O-CB 3.37Å; A183-R186 PolarHBondContact O-N 2.99Å; A183-R186 VanDerWaalsContact O-N 3.11Å; A183-I187 WeakPolarHBondContact O-CD1 3.27Å; A183-I187 VanDerWaalsContact O-CG1 3.3Å; A183-I187 WeakPolarHBondContact O-CG1 3.39Å; A183-I187 PolarHBondContact O-N 3.06Å; A183-L217 HydrophobicContact CB-CD1 4.18Å; A183-L217 HydrophobicContact CB-CD2 4.05Å; A183-Q302 WeakPolarHBondContact CA-O 3.28Å; A183-Q302 WeakPolarHBondContact CB-O 3.36Å
184L98.2Very high95.9Very high5 Ų519.8 Ų19.83%0.02611%0.107CC..Hα-helixtrans-58.6-41.1172.8-70.5170.1000111.9A180 D181 R186 I187 I188 Y216 L217 V220 A221 P679A180-L184 WeakPolarHBondContact O-CG 3.44Å; A180-L184 PolarHBondContact O-N 2.98Å; D181-L184 WeakPolarHBondContact O-CA 3.43Å; D181-L184 WeakPolarHBondContact O-CB 3.27Å; D181-L184 PolarHBondContact O-N 2.94Å; L184-R186 VanDerWaalsContact C-N 3.3Å; L184-R186 PolarHBondContact O-N 3.37Å; L184-I187 HydrophobicContact CD2-CD1 4.4Å; L184-I187 PolarHBondContact O-N 2.89Å; L184-I188 WeakPolarHBondContact O-CG1 3.42Å; L184-I188 PolarHBondContact O-N 3.43Å; L184-Y216 HydrophobicContact CD1-CE1 4.3Å; L184-L217 HydrophobicContact CD2-CD2 3.8Å; L184-L217 HydrophobicContact CG-CD2 3.75Å; L184-V220 HydrophobicContact CD1-CB 4.22Å; L184-V220 HydrophobicContact CD1-CG1 3.69Å; L184-V220 HydrophobicContact CD2-CB 3.96Å; L184-V220 HydrophobicContact CD2-CG1 4.02Å; L184-A221 HydrophobicContact CD2-CB 4.32Å; L184-P679 HydrophobicContact CB-CB 3.91Å; L184-P679 HydrophobicContact CB-CG 4.09Å
185H98.2Very high96Very high34 Ų3421.1 Ų21.116%0.15712%0.117CC..Hα-helixtrans-58.1-42.6174.5-86.9-99.6000111.9D181 S182 A183 E189 P679D181-H185 PolarHBondContact O-CD2 3.16Å; D181-H185 PolarHBondContact O-N 2.82Å; D181-H185 IonicContact OD2-CD2 3.64Å; D181-H185 IonicContact OD2-NE2 2.99Å; S182-H185 WeakPolarHBondContact O-CB 3.12Å; S182-H185 PolarHBondContact O-N 3.42Å; A183-H185 VanDerWaalsContact C-N 3.31Å; A183-H185 PolarHBondContact O-N 2.89Å; H185-E189 WeakPolarHBondContact O-CB 3.39Å; H185-E189 PolarHBondContact O-N 2.89Å; H185-P679 HydrophobicContact CB-CG 4.33Å
186R98Very high96.1Very high71 Ų7123.7 Ų23.727%0.26813%0.133SC..Hα-helixtrans-66.8-40.5177.7-59.5-62.790.9-150.4-5.5112S182 A183 L184 E189 A190 V301S182-R186 WeakPolarHBondContact O-CG 3.4Å; S182-R186 PolarHBondContact O-N 3.04Å; S182-R186 VanDerWaalsContact O-N 3.17Å; A183-R186 WeakPolarHBondContact O-CB 3.37Å; A183-R186 PolarHBondContact O-N 2.99Å; A183-R186 VanDerWaalsContact O-N 3.11Å; L184-R186 VanDerWaalsContact C-N 3.3Å; L184-R186 PolarHBondContact O-N 3.37Å; R186-E189 IonicContact CZ-OE2 2.73Å; R186-E189 IonicContact NH1-OE1 3.29Å; R186-E189 IonicContact NH1-OE2 3.65Å; R186-E189 PolarHBondContact NH1-OE2 3.22Å; R186-E189 IonicContact NH2-OE2 3.4Å; R186-E189 PolarHBondContact NH2-OE2 3.05Å; R186-A190 WeakPolarHBondContact O-CB 3.44Å; R186-A190 PolarHBondContact O-N 2.98Å; R186-A190 VanDerWaalsContact O-N 3.1Å; R186-V301 VanDerWaalsContact CG-O 3.27Å; R186-V301 WeakPolarHBondContact CG-O 3.48Å
187I98.2Very high96.2Very high0 Ų025.1 Ų25.10%014%0.144CC..Hα-helixtrans-64.1-47.2178.4-64.4158000110.5A183 L184 A190 T191 V209 L217 A221 M263 L298 Q302A183-I187 WeakPolarHBondContact O-CD1 3.27Å; A183-I187 VanDerWaalsContact O-CG1 3.3Å; A183-I187 WeakPolarHBondContact O-CG1 3.39Å; A183-I187 PolarHBondContact O-N 3.06Å; L184-I187 HydrophobicContact CD2-CD1 4.4Å; L184-I187 PolarHBondContact O-N 2.89Å; I187-A190 PolarHBondContact O-N 3.45Å; I187-T191 WeakPolarHBondContact O-CB 3.36Å; I187-T191 PolarHBondContact O-N 2.94Å; I187-T191 PolarHBondContact O-OG1 2.86Å; I187-V209 HydrophobicContact CD1-CG1 3.45Å; I187-V209 VanDerWaalsContact CD1-CG1 3.45Å; I187-V209 HydrophobicContact CG1-CG1 4.06Å; I187-V209 HydrophobicContact CG2-CG2 4.24Å; I187-L217 HydrophobicContact CD1-CB 3.94Å; I187-L217 HydrophobicContact CD1-CD1 4.24Å; I187-L217 HydrophobicContact CD1-CD2 4.22Å; I187-L217 HydrophobicContact CD1-CG 4.37Å; I187-A221 HydrophobicContact CB-CB 4.49Å; I187-A221 HydrophobicContact CG2-CB 3.58Å; I187-M263 HydrophobicContact CG2-CE 4.48Å; I187-L298 HydrophobicContact CB-CD1 4.26Å; I187-L298 HydrophobicContact CG1-CD1 4.04Å; I187-L298 HydrophobicContact CG2-CD1 4.09Å; I187-Q302 HydrophobicContact CG1-CG 3.91Å
188I97.6Very high95.9Very high4 Ų425.1 Ų25.12%0.02114%0.143CC..Hα-helixtrans-67.7-40.9-179.2-65.7-57.5000111.5L184 A190 T191 D192 A221 A224 C225 P679L184-I188 WeakPolarHBondContact O-CG1 3.42Å; L184-I188 PolarHBondContact O-N 3.43Å; I188-A190 PolarHBondContact O-N 3.48Å; I188-T191 PolarHBondContact O-N 3.38Å; I188-D192 WeakPolarHBondContact O-CB 3.27Å; I188-D192 VanDerWaalsContact O-CG 3.28Å; I188-D192 PolarHBondContact O-N 3.3Å; I188-A221 HydrophobicContact CD1-CB 4.36Å; I188-A224 HydrophobicContact CD1-CB 3.72Å; I188-A224 HydrophobicContact CG1-CB 4.28Å; I188-C225 HydrophobicContact CD1-CB 3.98Å; I188-P679 HydrophobicContact CB-CG 4.16Å; I188-P679 HydrophobicContact CG1-CB 4.01Å; I188-P679 HydrophobicContact CG1-CG 3.87Å
189E96.4Very high95.5Very high105 Ų10529.9 Ų29.949%0.49117%0.166SC..Hα-helixtrans-58.3-47.4174.6-176.7-179.514300111.7H185 R186 T191 D192 A193H185-E189 WeakPolarHBondContact O-CB 3.39Å; H185-E189 PolarHBondContact O-N 2.89Å; R186-E189 IonicContact CZ-OE2 2.73Å; R186-E189 IonicContact NH1-OE1 3.29Å; R186-E189 IonicContact NH1-OE2 3.65Å; R186-E189 PolarHBondContact NH1-OE2 3.22Å; R186-E189 IonicContact NH2-OE2 3.4Å; R186-E189 PolarHBondContact NH2-OE2 3.05Å; E189-T191 VanDerWaalsContact C-N 3.35Å; E189-T191 PolarHBondContact O-N 3.38Å; E189-D192 PolarHBondContact O-N 3.3Å; E189-A193 WeakPolarHBondContact O-CB 3.33Å; E189-A193 PolarHBondContact O-N 2.86Å
190A96.7Very high95.3Very high24 Ų2433.7 Ų33.720%0.19819%0.192CC..Hα-helixtrans-64-41177.700000112R186 I187 I188 A193 I194 L298R186-A190 WeakPolarHBondContact O-CB 3.44Å; R186-A190 PolarHBondContact O-N 2.98Å; R186-A190 VanDerWaalsContact O-N 3.1Å; I187-A190 PolarHBondContact O-N 3.45Å; I188-A190 PolarHBondContact O-N 3.48Å; A190-A193 PolarHBondContact O-N 3.26Å; A190-I194 WeakPolarHBondContact O-CB 3.46Å; A190-I194 WeakPolarHBondContact O-CD1 2.95Å; A190-I194 VanDerWaalsContact O-CG1 3.23Å; A190-I194 WeakPolarHBondContact O-CG1 3.44Å; A190-I194 PolarHBondContact O-N 2.92Å; A190-L298 HydrophobicContact CB-CD1 4.38Å; A190-L298 HydrophobicContact CB-CD2 3.54Å
191T96.2Very high94.9Very high1 Ų138.8 Ų38.81%0.00622%0.216CC..Hα-helixtrans-65.2-43.5179.4-56.40000111.6I187 I188 E189 A193 I194 S195 L207 C225 I261 M263I187-T191 WeakPolarHBondContact O-CB 3.36Å; I187-T191 PolarHBondContact O-N 2.94Å; I187-T191 PolarHBondContact O-OG1 2.86Å; I188-T191 PolarHBondContact O-N 3.38Å; E189-T191 VanDerWaalsContact C-N 3.35Å; E189-T191 PolarHBondContact O-N 3.38Å; T191-A193 VanDerWaalsContact C-N 3.35Å; T191-I194 PolarHBondContact O-N 3.44Å; T191-S195 WeakPolarHBondContact O-CB 3.21Å; T191-S195 PolarHBondContact O-N 3.5Å; T191-S195 PolarHBondContact O-OG 3.37Å; T191-L207 HydrophobicContact CG2-CD1 3.85Å; T191-C225 HydrophobicContact CG2-CB 3.7Å; T191-I261 HydrophobicContact CG2-CG2 4.36Å; T191-M263 HydrophobicContact CG2-CE 3.85Å; T191-M263 WeakPolarHBondContact OG1-CE 3.43Å
192D94.9Very high94.5Very high22 Ų2243.2 Ų43.212%0.11824%0.236CC..Hα-helixtrans-65.2-41.1177.3-69.1-13.4000110.9I188 E189 I194 S195 T196 R676 R682I188-D192 WeakPolarHBondContact O-CB 3.27Å; I188-D192 VanDerWaalsContact O-CG 3.28Å; I188-D192 PolarHBondContact O-N 3.3Å; E189-D192 PolarHBondContact O-N 3.3Å; D192-I194 VanDerWaalsContact C-N 3.35Å; D192-I194 PolarHBondContact O-N 2.74Å; D192-S195 PolarHBondContact O-N 3.36Å; D192-T196 PolarHBondContact O-N 2.91Å; D192-R676 VanDerWaalsContact CB-NH1 3.25Å; D192-R676 WeakPolarHBondContact OD2-CD 3.47Å; D192-R676 IonicContact OD2-NH1 3.81Å; D192-R682 IonicContact OD1-CZ 3.22Å; D192-R682 IonicContact OD1-NH1 2.7Å; D192-R682 PolarHBondContact OD1-NH1 2.85Å; D192-R682 IonicContact OD1-NH2 3.26Å; D192-R682 IonicContact OD2-CZ 3.73Å; D192-R682 IonicContact OD2-NH1 3.77Å; D192-R682 PolarHBondContact OD2-NH1 3.44Å; D192-R682 IonicContact OD2-NH2 3.8Å; D192-R682 PolarHBondContact OD2-NH2 3.2Å
193A94.7Very high94.3Very high55 Ų5545.5 Ų45.546%0.45524%0.244SC..Hα-helixtrans-60.1-45.7175.300000111.3E189 A190 T191 S195 T196E189-A193 WeakPolarHBondContact O-CB 3.33Å; E189-A193 PolarHBondContact O-N 2.86Å; A190-A193 PolarHBondContact O-N 3.26Å; T191-A193 VanDerWaalsContact C-N 3.35Å; A193-S195 VanDerWaalsContact C-N 3.33Å; A193-S195 PolarHBondContact O-N 3.32Å; A193-T196 PolarHBondContact O-N 2.87Å; A193-T196 PolarHBondContact O-OG1 3.16Å
194I94.4Very high94.1Very high22 Ų2245.5 Ų45.511%0.11324%0.244CC..Hα-helixtrans-65.9-36.9178.4-70.9166.4000111.5A190 T191 D192 T196 T197 A198 F205 L207 T296A190-I194 WeakPolarHBondContact O-CB 3.46Å; A190-I194 WeakPolarHBondContact O-CD1 2.95Å; A190-I194 VanDerWaalsContact O-CG1 3.23Å; A190-I194 WeakPolarHBondContact O-CG1 3.44Å; A190-I194 PolarHBondContact O-N 2.92Å; T191-I194 PolarHBondContact O-N 3.44Å; D192-I194 VanDerWaalsContact C-N 3.35Å; D192-I194 PolarHBondContact O-N 2.74Å; I194-T196 PolarHBondContact O-N 3.22Å; I194-T197 WeakPolarHBondContact O-CG2 3.44Å; I194-T197 PolarHBondContact O-N 2.79Å; I194-A198 WeakPolarHBondContact O-CB 3.22Å; I194-A198 PolarHBondContact O-N 3.17Å; I194-F205 HydrophobicContact CG2-CB 3.92Å; I194-F205 HydrophobicContact CG2-CD1 3.35Å; I194-F205 HydrophobicContact CG2-CD2 3.88Å; I194-F205 HydrophobicContact CG2-CE1 3.71Å; I194-F205 HydrophobicContact CG2-CE2 4.2Å; I194-F205 HydrophobicContact CG2-CG 3.43Å; I194-F205 VanDerWaalsContact CG2-CG 3.43Å; I194-F205 HydrophobicContact CG2-CZ 4.11Å; I194-L207 HydrophobicContact CD1-CD2 3.37Å; I194-T296 HydrophobicContact CD1-CG2 3.82Å
195S91.3Very high94.1Very high37 Ų3746 Ų4626%0.25925%0.246SC..Hα-helixtrans-58.6-34.1-179.4-65.40000112.4T191 D192 A193 A198 H199T191-S195 WeakPolarHBondContact O-CB 3.21Å; T191-S195 PolarHBondContact O-N 3.5Å; T191-S195 PolarHBondContact O-OG 3.37Å; D192-S195 PolarHBondContact O-N 3.36Å; A193-S195 VanDerWaalsContact C-N 3.33Å; A193-S195 PolarHBondContact O-N 3.32Å; S195-A198 PolarHBondContact O-N 3.22Å; S195-H199 VanDerWaalsContact O-CB 3.3Å; S195-H199 WeakPolarHBondContact O-CB 3.29Å; S195-H199 PolarHBondContact O-N 3.31Å
196T90.7Very high94.1Very high83 Ų8344.3 Ų44.351%0.50924%0.239SC..Hα-helixtrans-65-45.2177.866.50000113.1D192 A193 I194 S200D192-T196 PolarHBondContact O-N 2.91Å; A193-T196 PolarHBondContact O-N 2.87Å; A193-T196 PolarHBondContact O-OG1 3.16Å; I194-T196 PolarHBondContact O-N 3.22Å; T196-S200 PolarHBondContact O-N 3.05Å; T196-S200 PolarHBondContact O-OG 3.36Å
197T92.7Very high94.1Very high55 Ų5541 Ų4134%0.33723%0.226SC..Hα-helixtrans-73.8-35.4176.6-174.90000111.6I194 H199 S200 H201 F205I194-T197 WeakPolarHBondContact O-CG2 3.44Å; I194-T197 PolarHBondContact O-N 2.79Å; T197-H199 VanDerWaalsContact C-N 3.31Å; T197-H199 PolarHBondContact O-N 3.08Å; T197-S200 PolarHBondContact O-N 2.93Å; T197-H201 PolarHBondContact O-CD2 2.93Å; T197-H201 PolarHBondContact O-N 2.95Å; T197-F205 HydrophobicContact CG2-CZ 4.06Å
198A90.5Very high94.1Very high0 Ų043.6 Ų43.60%024%0.238CC..Hα-helixtrans-61-41.817500000111.7I194 S195 S200 H201 Q202 R203 F205 V259I194-A198 WeakPolarHBondContact O-CB 3.22Å; I194-A198 PolarHBondContact O-N 3.17Å; S195-A198 PolarHBondContact O-N 3.22Å; A198-S200 VanDerWaalsContact C-N 3.34Å; A198-S200 PolarHBondContact O-N 2.73Å; A198-H201 PolarHBondContact O-N 3.43Å; A198-Q202 WeakPolarHBondContact O-CA 3.39Å; A198-Q202 PolarHBondContact O-N 3.44Å; A198-R203 PolarHBondContact O-N 3.16Å; A198-F205 HydrophobicContact CB-CD2 3.43Å; A198-F205 VanDerWaalsContact CB-CD2 3.43Å; A198-F205 HydrophobicContact CB-CE2 3.46Å; A198-F205 VanDerWaalsContact CB-CE2 3.46Å; A198-V259 HydrophobicContact CB-CB 4.35Å; A198-V259 HydrophobicContact CB-CG1 3.6Å; A198-V259 HydrophobicContact CB-CG2 3.92Å
199H89.2Confident94.1Very high101 Ų10143.5 Ų43.547%0.46824%0.238SC..Hα-helixtrans-65.6-39179.1-176.4-90.7000112.3S195 T197 H201 R258 V259S195-H199 VanDerWaalsContact O-CB 3.3Å; S195-H199 WeakPolarHBondContact O-CB 3.29Å; S195-H199 PolarHBondContact O-N 3.31Å; T197-H199 VanDerWaalsContact C-N 3.31Å; T197-H199 PolarHBondContact O-N 3.08Å; H199-H201 PolarHBondContact O-N 2.89Å; H199-R258 WeakPolarHBondContact NE2-CD 3.4Å; H199-R258 PolarHBondContact NE2-NE 3.14Å; H199-R258 PolarHBondContact O-NE 3.4Å; H199-R258 PolarHBondContact O-NH2 3.4Å; H199-V259 HydrophobicContact CB-CG2 3.62Å
200S91.3Very high94.2Very high80 Ų8039 Ų3956%0.55922%0.217SC*.Hα-helixtrans-63.1-42179.5-60.30000111.7T196 T197 A198T196-S200 PolarHBondContact O-N 3.05Å; T196-S200 PolarHBondContact O-OG 3.36Å; T197-S200 PolarHBondContact O-N 2.93Å; A198-S200 VanDerWaalsContact C-N 3.34Å; A198-S200 PolarHBondContact O-N 2.73Å
201H89.9Confident94.1Very high107 Ų10737.9 Ų37.950%0.49521%0.208SC..Hα-helixtrans-101.65.5-175.9-65.9-69.1000115.1T197 A198 H199 R203T197-H201 PolarHBondContact O-CD2 2.93Å; T197-H201 PolarHBondContact O-N 2.95Å; A198-H201 PolarHBondContact O-N 3.43Å; H199-H201 PolarHBondContact O-N 2.89Å; H201-R203 VanDerWaalsContact C-N 3.31Å; H201-R203 HydrophobicContact CB-CG 3.69Å; H201-R203 PolarHBondContact CD2-NH1 2.9Å; H201-R203 PolarHBondContact O-N 3.09Å
202Q89.4Confident94Very high98 Ų9842.5 Ų42.546%0.45823%0.225SC..THydrogen-bonded Turntrans55.141.6-175.8-53.3-175.13600113.6A198 R253 R258A198-Q202 WeakPolarHBondContact O-CA 3.39Å; A198-Q202 PolarHBondContact O-N 3.44Å; Q202-R253 VanDerWaalsContact O-CZ 3.3Å; Q202-R253 PolarHBondContact O-NH1 2.81Å; Q202-R253 PolarHBondContact O-NH2 2.86Å; Q202-R258 CarbonylContact C-O 3.47Å; Q202-R258 WeakPolarHBondContact CA-O 3.39Å; Q202-R258 VanDerWaalsContact CD-NH1 3.31Å; Q202-R258 HydrophobicContact CG-CB 4.37Å; Q202-R258 HydrophobicContact CG-CG 4.49Å; Q202-R258 VanDerWaalsContact CG-CZ 3.43Å; Q202-R258 VanDerWaalsContact CG-NH2 3.28Å
203R92.7Very high93.9Very high52 Ų5247.7 Ų47.720%0.19625%0.248CC..  trans-93.7160.8-169.6-75.8176.8174.7153.53.7114.2A198 H201 F205 R253 N260 D292A198-R203 PolarHBondContact O-N 3.16Å; H201-R203 VanDerWaalsContact C-N 3.31Å; H201-R203 HydrophobicContact CB-CG 3.69Å; H201-R203 PolarHBondContact CD2-NH1 2.9Å; H201-R203 PolarHBondContact O-N 3.09Å; R203-F205 HydrophobicContact CB-CD2 4.04Å; R203-F205 HydrophobicContact CB-CE2 3.69Å; R203-R253 PolarHBondContact O-NH2 3.27Å; R203-N260 PolarHBondContact O-N 3.46Å; R203-N260 VanDerWaalsContact O-N 3.16Å; R203-D292 WeakPolarHBondContact CA-O 3.3Å; R203-D292 WeakPolarHBondContact CB-O 3.32Å; R203-D292 HydrophobicContact CG-CB 4.1Å; R203-D292 IonicContact CZ-OD2 2.77Å; R203-D292 IonicContact NE-OD2 2.72Å; R203-D292 PolarHBondContact NE-OD2 3.42Å; R203-D292 IonicContact NH2-OD2 2.79Å; R203-D292 PolarHBondContact NH2-OD2 3.23Å
204C95.8Very high93.9Very high0 Ų045.1 Ų45.10%023%0.227CC..EExtended strand (participates in β ladder)trans-98.5134162.2-178.40000109.5N260 D292 T293 R294C204-N260 CarbonylContact C-O 3.54Å; C204-N260 WeakPolarHBondContact CA-O 3.45Å; C204-N260 HydrophobicContact CB-CB 4.17Å; C204-D292 PolarHBondContact N-O 2.86Å; C204-T293 HydrophobicContact CB-CG2 4.11Å; C204-T293 CarbonylContact O-C 3.54Å; C204-T293 VanDerWaalsContact O-CA 3.28Å; C204-T293 WeakPolarHBondContact O-CA 3.41Å; C204-R294 PolarHBondContact O-N 2.92Å
205F97.1Very high94Very high14 Ų1444 Ų446%0.06122%0.221CC..EExtended strand (participates in β ladder)trans-119.1134.5173.7-82.3-98.4000110.5I194 T197 A198 R203 N260 I261 I262 R294I194-F205 HydrophobicContact CG2-CB 3.92Å; I194-F205 HydrophobicContact CG2-CD1 3.35Å; I194-F205 HydrophobicContact CG2-CD2 3.88Å; I194-F205 HydrophobicContact CG2-CE1 3.71Å; I194-F205 HydrophobicContact CG2-CE2 4.2Å; I194-F205 HydrophobicContact CG2-CG 3.43Å; I194-F205 VanDerWaalsContact CG2-CG 3.43Å; I194-F205 HydrophobicContact CG2-CZ 4.11Å; T197-F205 HydrophobicContact CG2-CZ 4.06Å; A198-F205 HydrophobicContact CB-CD2 3.43Å; A198-F205 VanDerWaalsContact CB-CD2 3.43Å; A198-F205 HydrophobicContact CB-CE2 3.46Å; A198-F205 VanDerWaalsContact CB-CE2 3.46Å; R203-F205 HydrophobicContact CB-CD2 4.04Å; R203-F205 HydrophobicContact CB-CE2 3.69Å; F205-N260 PolarHBondContact N-O 2.69Å; F205-I261 HydrophobicContact CB-CD1 4Å; F205-I261 WeakPolarHBondContact O-CA 3.48Å; F205-I262 PolarHBondContact O-N 2.91Å; F205-R294 WeakPolarHBondContact CA-O 3.48Å; F205-R294 HydrophobicContact CD1-CB 3.88Å; F205-R294 HydrophobicContact CE1-CB 3.69Å; F205-R294 HydrophobicContact CE1-CG 4.33Å; F205-R294 HydrophobicContact CZ-CB 4.17Å; F205-R294 HydrophobicContact CZ-CG 4.38Å
206I98.1Very high94.3Very high0 Ų042.9 Ų42.90%021%0.211CC..EExtended strand (participates in β ladder)trans-109.1117.3173.5-56.2169.3000106.8I262 V264 C278 V281 K282 I285 T293 R294 I295 T296I206-I262 CarbonylContact C-O 3.48Å; I206-I262 WeakPolarHBondContact CA-O 3.43Å; I206-I262 HydrophobicContact CG1-CB 4.27Å; I206-I262 HydrophobicContact CG1-CD1 4.39Å; I206-V264 HydrophobicContact CG2-CG2 3.57Å; I206-C278 HydrophobicContact CG2-CB 3.95Å; I206-V281 HydrophobicContact CD1-CB 3.99Å; I206-V281 HydrophobicContact CD1-CG1 3.77Å; I206-V281 HydrophobicContact CG1-CG1 4.34Å; I206-K282 VanDerWaalsContact CD1-CA 3.47Å; I206-K282 HydrophobicContact CD1-CB 3.68Å; I206-K282 VanDerWaalsContact CD1-N 3.31Å; I206-I285 HydrophobicContact CD1-CD1 4.29Å; I206-T293 HydrophobicContact CD1-CG2 3.68Å; I206-T293 HydrophobicContact CG1-CG2 3.99Å; I206-R294 PolarHBondContact N-O 2.71Å; I206-I295 HydrophobicContact CB-CG1 4.27Å; I206-I295 HydrophobicContact CD1-CG1 4.4Å; I206-I295 CarbonylContact O-C 3.55Å; I206-I295 WeakPolarHBondContact O-CA 3.32Å; I206-T296 PolarHBondContact O-N 3.02Å
207L98Very high94.6Very high0 Ų038.9 Ų38.90%019%0.187CC..EExtended strand (participates in β ladder)trans-106.2117.8-176.1-64.9168.9000109.3T191 I194 I261 I262 M263 V264 T296 L298T191-L207 HydrophobicContact CG2-CD1 3.85Å; I194-L207 HydrophobicContact CD1-CD2 3.37Å; L207-I261 HydrophobicContact CD1-CG2 3.72Å; L207-I262 PolarHBondContact N-O 2.72Å; L207-M263 HydrophobicContact CB-CE 4.48Å; L207-M263 HydrophobicContact CB-SD 3.64Å; L207-M263 HydrophobicContact CD1-CE 3.51Å; L207-M263 HydrophobicContact CD1-SD 3.81Å; L207-M263 HydrophobicContact CG-SD 4.34Å; L207-V264 PolarHBondContact O-N 3.43Å; L207-T296 WeakPolarHBondContact CA-O 3.31Å; L207-T296 HydrophobicContact CD2-CG2 4.37Å; L207-L298 HydrophobicContact CD2-CD2 4.44Å
208E98.5Very high94.9Very high56 Ų5636.3 Ų36.326%0.26217%0.171SC..EExtended strand (participates in β ladder)trans-87120.3173-161.1176107.500109.7V264 C278 T296 V297 L298E208-V264 WeakPolarHBondContact CA-O 3.23Å; E208-C278 PolarHBondContact OE2-SG 3.3Å; E208-T296 PolarHBondContact N-O 3.36Å; E208-V297 HydrophobicContact CB-CB 4.27Å; E208-V297 HydrophobicContact CB-CG1 4.22Å; E208-V297 HydrophobicContact CB-CG2 3.99Å; E208-L298 PolarHBondContact O-N 3.47Å
209V98.3Very high95.2Very high1 Ų136.3 Ų36.31%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-114.2139.5-173.7-178.70000109.1I187 L217 A218 M263 V264 A265 E266 L298I187-V209 HydrophobicContact CD1-CG1 3.45Å; I187-V209 VanDerWaalsContact CD1-CG1 3.45Å; I187-V209 HydrophobicContact CG1-CG1 4.06Å; I187-V209 HydrophobicContact CG2-CG2 4.24Å; V209-L217 HydrophobicContact CG1-CB 3.83Å; V209-A218 HydrophobicContact CB-CB 4.3Å; V209-A218 HydrophobicContact CG1-CB 4.43Å; V209-M263 HydrophobicContact CG2-SD 3.78Å; V209-V264 PolarHBondContact N-O 3.18Å; V209-A265 CarbonylContact O-C 3.56Å; V209-E266 PolarHBondContact O-N 3.36Å; V209-L298 HydrophobicContact CG2-CD1 4.44Å
210M98.1Very high95.5Very high12 Ų1231.7 Ų31.76%0.05915%0.15CC..  trans-71.5169.5177.7-73175.897.400111.4I167 L217 Q302I167-M210 HydrophobicContact CD1-CB 4Å; I167-M210 HydrophobicContact CD1-SD 4.25Å; M210-L217 WeakPolarHBondContact O-CD1 3.3Å; M210-Q302 VanDerWaalsContact CG-NE2 3.25Å; M210-Q302 HydrophobicContact SD-CB 4.19Å
211G95.1Very high95.8Very high0 Ų027.9 Ų27.90%012%0.124CC..  trans153.42.4179.800000113.3D168 H213 C214 E266D168-G211 WeakPolarHBondContact OD1-CA 3.28Å; D168-G211 PolarHBondContact OD1-N 2.92Å; G211-H213 PolarHBondContact O-N 2.89Å; G211-C214 CarbonylContact C-O 3.42Å; G211-C214 WeakPolarHBondContact CA-O 3.48Å; G211-C214 WeakPolarHBondContact O-CA 3.46Å; G211-C214 WeakPolarHBondContact O-CB 3.27Å; G211-C214 PolarHBondContact O-N 3.26Å; G211-E266 PolarHBondContact N-OE1 3.24Å
212R92.9Very high96.1Very high97 Ų9722.9 Ų22.937%0.36610%0.101SC..THydrogen-bonded Turntrans54.9-95.8-173.9-174.9-163.9-69.6165-10.9111.8D121 D168 D170 E266 G267D121-R212 IonicContact OD1-CZ 3.97Å; D121-R212 IonicContact OD1-NH1 3.59Å; D121-R212 PolarHBondContact OD1-NH1 3.26Å; D121-R212 IonicContact OD1-NH2 3.48Å; D121-R212 IonicContact OD2-NH1 3.53Å; D168-R212 IonicContact OD2-NE 2.73Å; D170-R212 IonicContact OD2-NH1 3.63Å; D170-R212 PolarHBondContact OD2-NH1 3.39Å; R212-E266 VanDerWaalsContact CA-OE1 3.25Å; R212-E266 WeakPolarHBondContact CA-OE1 3.23Å; R212-E266 PolarHBondContact N-OE1 3.35Å; R212-G267 VanDerWaalsContact O-CA 3.23Å; R212-G267 WeakPolarHBondContact O-CA 3.14Å; R212-G267 PolarHBondContact O-N 2.99Å
213H92.3Very high96.2Very high131 Ų13118.7 Ų18.761%0.6068%0.081SC*.THydrogen-bonded Turntrans-11717.7178.3-59.7-49.2000111.1G211 P233 R378G211-H213 PolarHBondContact O-N 2.89Å; H213-P233 WeakPolarHBondContact O-CG 3.09Å; H213-R378 PolarHBondContact O-NH2 2.9Å
214C95.4Very high96.3Very high1 Ų116.2 Ų16.21%0.0077%0.072CC..  trans-118.5130.9176.3-168.40000111.4D170 G211 Y216 E234 R378D170-C214 HydrophobicContact CB-CB 3.68Å; G211-C214 CarbonylContact C-O 3.42Å; G211-C214 WeakPolarHBondContact CA-O 3.48Å; G211-C214 WeakPolarHBondContact O-CA 3.46Å; G211-C214 WeakPolarHBondContact O-CB 3.27Å; G211-C214 PolarHBondContact O-N 3.26Å; C214-Y216 VanDerWaalsContact C-N 3.31Å; C214-Y216 PolarHBondContact SG-N 2.67Å; C214-E234 VanDerWaalsContact CA-OE1 3.23Å; C214-E234 WeakPolarHBondContact CA-OE1 3.37Å; C214-E234 PolarHBondContact SG-OE1 2.81Å; C214-E234 VanDerWaalsContact SG-OE1 3.35Å; C214-R378 VanDerWaalsContact SG-CZ 3.57Å
215G96.8Very high96.2Very high0 Ų017.2 Ų17.20%08%0.078CC..  trans-85.35176.500000114.9L217 A218 L219 E234G215-L217 PolarHBondContact O-N 3.36Å; G215-A218 PolarHBondContact O-N 3.24Å; G215-L219 VanDerWaalsContact O-CB 3.26Å; G215-L219 WeakPolarHBondContact O-CB 3.17Å; G215-L219 PolarHBondContact O-N 3.37Å; G215-E234 VanDerWaalsContact CA-OE2 3.31Å; G215-E234 WeakPolarHBondContact CA-OE2 3.26Å; G215-E234 PolarHBondContact N-OE1 3.21Å; G215-E234 VanDerWaalsContact N-OE1 3.17Å; G215-E234 PolarHBondContact N-OE2 3.38Å
216Y97Very high95.8Very high12 Ų1218 Ų185%0.0478%0.082CC..Hα-helixtrans-55.7-51.4-171.3179.9-90.9000112.4N169 M176 L184 C214 A218 L219 V220 F382N169-Y216 HydrophobicContact CB-CD1 3.51Å; N169-Y216 HydrophobicContact CB-CD2 4.4Å; N169-Y216 HydrophobicContact CB-CE1 3.99Å; N169-Y216 HydrophobicContact CB-CG 3.76Å; N169-Y216 WeakPolarHBondContact ND2-CD2 3.36Å; N169-Y216 WeakPolarHBondContact ND2-CE1 3.41Å; N169-Y216 WeakPolarHBondContact ND2-CE2 3.44Å; N169-Y216 VanDerWaalsContact ND2-CZ 3.26Å; M176-Y216 WeakPolarHBondContact CE-OH 3.35Å; M176-Y216 HydrophobicContact SD-CE1 4.22Å; L184-Y216 HydrophobicContact CD1-CE1 4.3Å; C214-Y216 VanDerWaalsContact C-N 3.31Å; C214-Y216 PolarHBondContact SG-N 2.67Å; Y216-A218 PolarHBondContact O-N 2.68Å; Y216-L219 PolarHBondContact O-N 2.77Å; Y216-V220 HydrophobicContact CD1-CG2 4.35Å; Y216-V220 HydrophobicContact CD2-CG2 4.3Å; Y216-V220 HydrophobicContact CE1-CG2 3.98Å; Y216-V220 HydrophobicContact CE2-CG2 3.96Å; Y216-V220 HydrophobicContact CG-CG2 4.49Å; Y216-V220 WeakPolarHBondContact O-CG2 3.18Å; Y216-V220 PolarHBondContact O-N 3.32Å; Y216-F382 HydrophobicContact CD2-CD2 4.05Å
217L98Very high95.6Very high0 Ų018.5 Ų18.50%09%0.086CC..Hα-helixtrans-59.7-48.6179.7-70.9-179.7000111.7I167 A183 L184 I187 V209 M210 G215 L219 A221I167-L217 HydrophobicContact CB-CD1 4.45Å; I167-L217 HydrophobicContact CD1-CD1 4.33Å; I167-L217 HydrophobicContact CG1-CD1 4.46Å; I167-L217 VanDerWaalsContact O-CD1 3.32Å; I167-L217 WeakPolarHBondContact O-CD1 3.12Å; I167-L217 WeakPolarHBondContact O-CD2 3.42Å; I167-L217 WeakPolarHBondContact O-CG 3.17Å; A183-L217 HydrophobicContact CB-CD1 4.18Å; A183-L217 HydrophobicContact CB-CD2 4.05Å; L184-L217 HydrophobicContact CD2-CD2 3.8Å; L184-L217 HydrophobicContact CG-CD2 3.75Å; I187-L217 HydrophobicContact CD1-CB 3.94Å; I187-L217 HydrophobicContact CD1-CD1 4.24Å; I187-L217 HydrophobicContact CD1-CD2 4.22Å; I187-L217 HydrophobicContact CD1-CG 4.37Å; V209-L217 HydrophobicContact CG1-CB 3.83Å; M210-L217 WeakPolarHBondContact O-CD1 3.3Å; G215-L217 PolarHBondContact O-N 3.36Å; L217-L219 PolarHBondContact O-N 3.25Å; L217-A221 WeakPolarHBondContact O-CB 3.46Å; L217-A221 PolarHBondContact O-N 2.91Å
218A97.9Very high95.3Very high0 Ų018.8 Ų18.80%09%0.088CC..Hα-helixtrans-63.5-40.2179.500000112.2V209 G215 Y216 S222 V230 I232 A265V209-A218 HydrophobicContact CB-CB 4.3Å; V209-A218 HydrophobicContact CG1-CB 4.43Å; G215-A218 PolarHBondContact O-N 3.24Å; Y216-A218 PolarHBondContact O-N 2.68Å; A218-S222 VanDerWaalsContact O-CB 3.24Å; A218-S222 WeakPolarHBondContact O-CB 3.31Å; A218-S222 PolarHBondContact O-N 2.92Å; A218-S222 PolarHBondContact O-OG 2.84Å; A218-V230 HydrophobicContact CB-CG2 3.97Å; A218-I232 HydrophobicContact CB-CG2 4.07Å; A218-A265 HydrophobicContact CB-CB 3.88Å
219L97.2Very high95.1Very high0 Ų018.3 Ų18.30%08%0.084CC..Hα-helixtrans-65-51.9178.7174.361000111.7G215 Y216 L217 S222 M223 I232 F382 N385 L386 Y389G215-L219 VanDerWaalsContact O-CB 3.26Å; G215-L219 WeakPolarHBondContact O-CB 3.17Å; G215-L219 PolarHBondContact O-N 3.37Å; Y216-L219 PolarHBondContact O-N 2.77Å; L217-L219 PolarHBondContact O-N 3.25Å; L219-S222 WeakPolarHBondContact O-CB 3.36Å; L219-S222 PolarHBondContact O-N 2.99Å; L219-M223 PolarHBondContact O-N 2.83Å; L219-M223 VanDerWaalsContact O-N 3.14Å; L219-I232 HydrophobicContact CB-CG2 4.43Å; L219-F382 HydrophobicContact CD2-CE1 4.19Å; L219-F382 HydrophobicContact CD2-CE2 4.3Å; L219-F382 HydrophobicContact CD2-CZ 4.05Å; L219-N385 HydrophobicContact CD2-CB 3.7Å; L219-N385 HydrophobicContact CG-CB 4.11Å; L219-L386 HydrophobicContact CD1-CD1 4.17Å; L219-L386 HydrophobicContact CD2-CB 4.12Å; L219-L386 HydrophobicContact CD2-CD1 4.41Å; L219-Y389 HydrophobicContact CD1-CD1 4.26Å; L219-Y389 HydrophobicContact CD1-CG 3.9Å
220V96.2Very high95.1Very high5 Ų518.3 Ų18.33%0.038%0.084CC..Hα-helixtrans-68.6-40.8-178.8177.90000110.7L184 Y216 S222 M223 A224L184-V220 HydrophobicContact CD1-CB 4.22Å; L184-V220 HydrophobicContact CD1-CG1 3.69Å; L184-V220 HydrophobicContact CD2-CB 3.96Å; L184-V220 HydrophobicContact CD2-CG1 4.02Å; Y216-V220 HydrophobicContact CD1-CG2 4.35Å; Y216-V220 HydrophobicContact CD2-CG2 4.3Å; Y216-V220 HydrophobicContact CE1-CG2 3.98Å; Y216-V220 HydrophobicContact CE2-CG2 3.96Å; Y216-V220 HydrophobicContact CG-CG2 4.49Å; Y216-V220 WeakPolarHBondContact O-CG2 3.18Å; Y216-V220 PolarHBondContact O-N 3.32Å; V220-S222 VanDerWaalsContact C-N 3.29Å; V220-S222 PolarHBondContact O-N 2.8Å; V220-M223 PolarHBondContact O-N 2.89Å; V220-A224 WeakPolarHBondContact O-CB 3.22Å; V220-A224 PolarHBondContact O-N 2.9Å
221A97.3Very high95.1Very high0 Ų017.9 Ų17.90%08%0.082CC..Hα-helixtrans-59.2-42173.800000111.5L184 I187 I188 L217 M223 A224 C225 M263L184-A221 HydrophobicContact CD2-CB 4.32Å; I187-A221 HydrophobicContact CB-CB 4.49Å; I187-A221 HydrophobicContact CG2-CB 3.58Å; I188-A221 HydrophobicContact CD1-CB 4.36Å; L217-A221 WeakPolarHBondContact O-CB 3.46Å; L217-A221 PolarHBondContact O-N 2.91Å; A221-M223 VanDerWaalsContact C-N 3.32Å; A221-M223 PolarHBondContact O-N 3.28Å; A221-A224 CarbonylContact O-C 3.46Å; A221-A224 PolarHBondContact O-N 3.11Å; A221-A224 VanDerWaalsContact O-N 3.13Å; A221-C225 WeakPolarHBondContact O-CB 3.25Å; A221-C225 PolarHBondContact O-N 3.21Å; A221-C225 PolarHBondContact O-SG 3.21Å; A221-M263 HydrophobicContact CB-CE 4.41Å
222S95.8Very high95.2Very high2 Ų217.9 Ų17.91%0.0148%0.082CC..Hα-helixtrans-60.9-39.9177.4-650000112.8A218 L219 V220 E226 A227 V230 M263A218-S222 VanDerWaalsContact O-CB 3.24Å; A218-S222 WeakPolarHBondContact O-CB 3.31Å; A218-S222 PolarHBondContact O-N 2.92Å; A218-S222 PolarHBondContact O-OG 2.84Å; L219-S222 WeakPolarHBondContact O-CB 3.36Å; L219-S222 PolarHBondContact O-N 2.99Å; V220-S222 VanDerWaalsContact C-N 3.29Å; V220-S222 PolarHBondContact O-N 2.8Å; S222-E226 WeakPolarHBondContact O-CA 3.38Å; S222-E226 PolarHBondContact O-N 3Å; S222-E226 VanDerWaalsContact O-N 3.1Å; S222-A227 PolarHBondContact O-N 3.01Å; S222-V230 WeakPolarHBondContact OG-CB 3.27Å; S222-V230 WeakPolarHBondContact OG-CG2 3.49Å; S222-M263 VanDerWaalsContact OG-CB 3.28Å; S222-M263 WeakPolarHBondContact OG-CB 3.41Å; S222-M263 VanDerWaalsContact OG-CG 3.3Å; S222-M263 WeakPolarHBondContact OG-CG 3.48Å
223M92.7Very high95.4Very high9 Ų913.4 Ų13.44%0.0447%0.065CC..Hα-helixtrans-66.1-44173.3-69176.55400111.4L219 V220 A221 C225 N385 T388 T686 K687L219-M223 PolarHBondContact O-N 2.83Å; L219-M223 VanDerWaalsContact O-N 3.14Å; V220-M223 PolarHBondContact O-N 2.89Å; A221-M223 VanDerWaalsContact C-N 3.32Å; A221-M223 PolarHBondContact O-N 3.28Å; M223-C225 PolarHBondContact O-N 3.07Å; M223-N385 HydrophobicContact SD-CB 4.09Å; M223-N385 VanDerWaalsContact SD-O 3.36Å; M223-T388 HydrophobicContact CE-CG2 3.57Å; M223-T686 HydrophobicContact CE-CG2 4.25Å; M223-K687 HydrophobicContact CE-CG 3.92Å
224A94.4Very high95.6Very high0 Ų07.3 Ų7.30%04%0.037CC..Hα-helixtrans-75.6-17.3-176.700000114.3I188 V220 A221 V468 R682I188-A224 HydrophobicContact CD1-CB 3.72Å; I188-A224 HydrophobicContact CG1-CB 4.28Å; V220-A224 WeakPolarHBondContact O-CB 3.22Å; V220-A224 PolarHBondContact O-N 2.9Å; A221-A224 CarbonylContact O-C 3.46Å; A221-A224 PolarHBondContact O-N 3.11Å; A221-A224 VanDerWaalsContact O-N 3.13Å; A224-V468 VanDerWaalsContact O-CG1 3.23Å; A224-V468 WeakPolarHBondContact O-CG1 3.44Å; A224-R682 HydrophobicContact CB-CB 3.84Å; A224-R682 WeakPolarHBondContact O-CD 3.35Å
225C92.5Very high95.6Very high21 Ų2110 Ų1014%0.1425%0.05CC..Hα-helixtrans-114.92.9177.278.90000114.3I188 T191 A221 M223 M263I188-C225 HydrophobicContact CD1-CB 3.98Å; T191-C225 HydrophobicContact CG2-CB 3.7Å; A221-C225 WeakPolarHBondContact O-CB 3.25Å; A221-C225 PolarHBondContact O-N 3.21Å; A221-C225 PolarHBondContact O-SG 3.21Å; M223-C225 PolarHBondContact O-N 3.07Å; C225-M263 WeakPolarHBondContact SG-CE 3.46Å
226E89.4Confident95.5Very high30 Ų3010.2 Ų10.214%0.145%0.052CC..THydrogen-bonded Turntrans56.246.6-172.2-52-174.6-151.100114.2S222 D228 R428 R432 V468S222-E226 WeakPolarHBondContact O-CA 3.38Å; S222-E226 PolarHBondContact O-N 3Å; S222-E226 VanDerWaalsContact O-N 3.1Å; E226-D228 PolarHBondContact O-N 2.77Å; E226-R428 IonicContact OE1-NE 3.79Å; E226-R428 PolarHBondContact OE1-NE 2.89Å; E226-R428 IonicContact OE2-CZ 2.69Å; E226-R428 VanDerWaalsContact OE2-CZ 3.28Å; E226-R428 IonicContact OE2-NE 3.49Å; E226-R428 PolarHBondContact OE2-NE 3.13Å; E226-R428 IonicContact OE2-NH2 3.69Å; E226-R428 PolarHBondContact OE2-NH2 3.05Å; E226-R432 IonicContact OE2-CZ 2.8Å; E226-R432 IonicContact OE2-NH1 3.53Å; E226-R432 IonicContact OE2-NH2 2.64Å; E226-R432 PolarHBondContact OE2-NH2 3.29Å; E226-V468 HydrophobicContact CG-CB 3.7Å; E226-V468 HydrophobicContact CG-CG1 4.3Å; E226-V468 HydrophobicContact CG-CG2 3.53Å; E226-V468 WeakPolarHBondContact OE1-CB 3.34Å; E226-V468 WeakPolarHBondContact OE1-CG2 3.36Å; E226-V468 PolarHBondContact OE1-N 2.94Å
227A92.8Very high95.4Very high11 Ų1110.4 Ų10.49%0.0915%0.054CC..  trans-58138.8176.600000111.3S222 W229 I261 M263S222-A227 PolarHBondContact O-N 3.01Å; A227-W229 VanDerWaalsContact C-N 3.27Å; A227-W229 PolarHBondContact O-N 3.49Å; A227-I261 HydrophobicContact CB-CG2 4.31Å; A227-M263 HydrophobicContact CB-CB 4.5Å; A227-M263 HydrophobicContact CB-CG 3.8Å
228D92.7Very high95.2Very high7 Ų712.6 Ų12.64%0.0377%0.068CC..SBendtrans-66.1-34.7175.8-63.4-97.9000111E226 K248 L249 N252 Q257 N260 I261E226-D228 PolarHBondContact O-N 2.77Å; D228-K248 VanDerWaalsContact O-CD 3.25Å; D228-K248 WeakPolarHBondContact O-CD 3.35Å; D228-K248 WeakPolarHBondContact O-CE 3.29Å; D228-K248 PolarHBondContact O-NZ 2.72Å; D228-L249 HydrophobicContact CB-CD2 3.86Å; D228-N252 PolarHBondContact OD1-ND2 3.46Å; D228-Q257 PolarHBondContact OD1-NE2 3.25Å; D228-Q257 PolarHBondContact OD2-NE2 3.22Å; D228-N260 PolarHBondContact OD1-ND2 3.29Å; D228-N260 WeakPolarHBondContact OD2-CA 3.31Å; D228-N260 WeakPolarHBondContact OD2-CB 3.39Å; D228-I261 PolarHBondContact N-O 3.24Å; D228-I261 PolarHBondContact OD2-N 3.2Å
229W95.4Very high94.8Very high45 Ų4519.4 Ų19.417%0.1710%0.104CC..EExtended strand (participates in β ladder)trans-150.4149178.1-155.3-81.1000111.3A227 F231 K244 L245 K248 I262 M263A227-W229 VanDerWaalsContact C-N 3.27Å; A227-W229 PolarHBondContact O-N 3.49Å; W229-F231 AromaticContact CD1-CD2 3.74Å; W229-F231 AromaticContact CD1-CE2 3.41Å; W229-F231 VanDerWaalsContact CD1-CE2 3.41Å; W229-F231 AromaticContact CD1-CZ 3.66Å; W229-F231 HydrophobicContact CG-CE2 4.26Å; W229-F231 AromaticContact NE1-CE1 3.94Å; W229-F231 AromaticContact NE1-CZ 3.77Å; W229-K244 HydrophobicContact CH2-CB 3.95Å; W229-K244 HydrophobicContact CZ3-CB 4.4Å; W229-L245 HydrophobicContact CB-CD1 3.71Å; W229-L245 HydrophobicContact CD2-CD1 3.86Å; W229-L245 HydrophobicContact CE3-CB 4.41Å; W229-L245 HydrophobicContact CE3-CD1 3.82Å; W229-L245 HydrophobicContact CG-CD1 3.8Å; W229-K248 HydrophobicContact CE3-CB 4.43Å; W229-K248 HydrophobicContact CE3-CD 3.64Å; W229-K248 HydrophobicContact CE3-CG 4.47Å; W229-K248 HydrophobicContact CZ3-CB 4.33Å; W229-K248 HydrophobicContact CZ3-CD 3.86Å; W229-I262 HydrophobicContact CB-CG1 4.38Å; W229-I262 HydrophobicContact CB-CG2 4.32Å; W229-I262 WeakPolarHBondContact O-CA 3.44Å; W229-M263 PolarHBondContact O-N 2.92Å
230V96.8Very high94.6Very high2 Ų222.1 Ų22.11%0.01212%0.119CC..EExtended strand (participates in β ladder)trans-126137.6171.276.90000110.1A218 S222 I232 M263 Y389A218-V230 HydrophobicContact CB-CG2 3.97Å; S222-V230 WeakPolarHBondContact OG-CB 3.27Å; S222-V230 WeakPolarHBondContact OG-CG2 3.49Å; V230-I232 HydrophobicContact CG2-CG2 3.77Å; V230-M263 CarbonylContact C-O 3.54Å; V230-M263 VanDerWaalsContact CA-O 3.28Å; V230-M263 WeakPolarHBondContact CA-O 3.45Å; V230-M263 HydrophobicContact CB-CB 4.42Å; V230-M263 HydrophobicContact CG2-CB 3.89Å; V230-Y389 HydrophobicContact CB-CE2 4.27Å; V230-Y389 HydrophobicContact CG1-CD1 4.04Å; V230-Y389 HydrophobicContact CG1-CD2 4.44Å; V230-Y389 HydrophobicContact CG1-CE1 3.42Å; V230-Y389 VanDerWaalsContact CG1-CE1 3.42Å; V230-Y389 HydrophobicContact CG1-CE2 3.87Å; V230-Y389 PolarHBondContact N-OH 3.3Å
231F97.9Very high94.5Very high2 Ų222.6 Ų22.61%0.00912%0.12CC..EExtended strand (participates in β ladder)trans-109.6116.9167.2-66.2-91.3000108.8W229 P237 W241 L245 I262 M263 V264 A265 A268 I276 V281W229-F231 AromaticContact CD1-CD2 3.74Å; W229-F231 AromaticContact CD1-CE2 3.41Å; W229-F231 VanDerWaalsContact CD1-CE2 3.41Å; W229-F231 AromaticContact CD1-CZ 3.66Å; W229-F231 HydrophobicContact CG-CE2 4.26Å; W229-F231 AromaticContact NE1-CE1 3.94Å; W229-F231 AromaticContact NE1-CZ 3.77Å; F231-P237 HydrophobicContact CD1-CG 4.06Å; F231-P237 HydrophobicContact CE1-CG 3.97Å; F231-W241 HydrophobicContact CE1-CD2 4.12Å; F231-W241 AromaticContact CE1-CE3 3.72Å; F231-W241 HydrophobicContact CE1-CE3 3.72Å; F231-W241 HydrophobicContact CE1-CH2 4.49Å; F231-W241 AromaticContact CE1-CZ3 3.93Å; F231-W241 HydrophobicContact CE1-CZ3 3.93Å; F231-W241 HydrophobicContact CZ-CD2 4.46Å; F231-W241 AromaticContact CZ-CE3 3.61Å; F231-W241 HydrophobicContact CZ-CE3 3.61Å; F231-W241 HydrophobicContact CZ-CH2 4.37Å; F231-W241 AromaticContact CZ-CZ3 3.57Å; F231-W241 HydrophobicContact CZ-CZ3 3.57Å; F231-L245 HydrophobicContact CE2-CD2 4.49Å; F231-L245 HydrophobicContact CZ-CD2 4.23Å; F231-I262 HydrophobicContact CD2-CG2 4Å; F231-I262 HydrophobicContact CE2-CG2 3.83Å; F231-M263 PolarHBondContact N-O 3.31Å; F231-V264 HydrophobicContact CB-CG1 4.36Å; F231-V264 HydrophobicContact CD2-CG2 3.96Å; F231-A265 WeakPolarHBondContact O-CB 3.35Å; F231-A265 PolarHBondContact O-N 3.24Å; F231-A268 HydrophobicContact CB-CB 3.83Å; F231-I276 HydrophobicContact CD1-CD1 3.85Å; F231-I276 HydrophobicContact CD1-CG2 3.95Å; F231-I276 HydrophobicContact CE1-CD1 4.13Å; F231-I276 HydrophobicContact CE1-CG2 4.12Å; F231-I276 HydrophobicContact CG-CG2 4.39Å; F231-V281 HydrophobicContact CD2-CG2 4.43Å; F231-V281 HydrophobicContact CE2-CG1 4.21Å; F231-V281 HydrophobicContact CE2-CG2 3.91Å; F231-V281 HydrophobicContact CZ-CG2 4.06Å
232I97.8Very high94.4Very high1 Ų129.3 Ų29.31%0.00515%0.145CC..BIsolated β-bridgetrans-128.7147.9177.757.7172.1000110.5A218 L219 V230 E234 M235 F382 L386A218-I232 HydrophobicContact CB-CG2 4.07Å; L219-I232 HydrophobicContact CB-CG2 4.43Å; V230-I232 HydrophobicContact CG2-CG2 3.77Å; I232-E234 VanDerWaalsContact C-N 3.3Å; I232-E234 PolarHBondContact O-N 3.47Å; I232-M235 HydrophobicContact CD1-CB 3.9Å; I232-M235 HydrophobicContact CG1-CB 3.85Å; I232-M235 CarbonylContact O-C 3.57Å; I232-M235 PolarHBondContact O-N 2.92Å; I232-F382 HydrophobicContact CD1-CZ 4.26Å; I232-L386 HydrophobicContact CD1-CD1 3.83Å
233P97.2Very high94.3Very high3 Ų336 Ų362%0.01918%0.176CC..THydrogen-bonded Turntrans-62-36.3177.615.6-23000113.1H213 M235 P236 G267 I269 M366H213-P233 WeakPolarHBondContact O-CG 3.09Å; P233-M235 PolarHBondContact O-N 3Å; P233-P236 WeakPolarHBondContact O-CD 3.49Å; P233-P236 VanDerWaalsContact O-CG 3.25Å; P233-P236 WeakPolarHBondContact O-CG 3.42Å; P233-G267 WeakPolarHBondContact CB-O 3.49Å; P233-I269 HydrophobicContact CB-CG1 4.31Å; P233-M366 HydrophobicContact CB-CE 3.69Å; P233-M366 WeakPolarHBondContact O-CE 3.49Å
234E96.2Very high94.4Very high2 Ų239.8 Ų39.81%0.00919%0.193CC..THydrogen-bonded Turntrans-72.9-13.2-176.5-64.188.3169.100114.1C214 G215 I232 V375 R378 F382C214-E234 VanDerWaalsContact CA-OE1 3.23Å; C214-E234 WeakPolarHBondContact CA-OE1 3.37Å; C214-E234 PolarHBondContact SG-OE1 2.81Å; C214-E234 VanDerWaalsContact SG-OE1 3.35Å; G215-E234 VanDerWaalsContact CA-OE2 3.31Å; G215-E234 WeakPolarHBondContact CA-OE2 3.26Å; G215-E234 PolarHBondContact N-OE1 3.21Å; G215-E234 VanDerWaalsContact N-OE1 3.17Å; G215-E234 PolarHBondContact N-OE2 3.38Å; I232-E234 VanDerWaalsContact C-N 3.3Å; I232-E234 PolarHBondContact O-N 3.47Å; E234-V375 HydrophobicContact CB-CG2 3.81Å; E234-V375 WeakPolarHBondContact O-CG2 3.32Å; E234-R378 HydrophobicContact CG-CG 4.4Å; E234-R378 IonicContact OE1-CZ 2.9Å; E234-R378 IonicContact OE1-NE 3.28Å; E234-R378 PolarHBondContact OE1-NE 2.96Å; E234-R378 IonicContact OE1-NH2 3.75Å; E234-R378 PolarHBondContact OE1-NH2 3.3Å; E234-F382 HydrophobicContact CB-CE1 3.79Å; E234-F382 HydrophobicContact CB-CZ 3.79Å; E234-F382 HydrophobicContact CG-CE1 4.01Å; E234-F382 HydrophobicContact CG-CE2 4.47Å; E234-F382 HydrophobicContact CG-CZ 3.71Å
235M95.7Very high94.4Very high58 Ų5839.8 Ų39.829%0.28619%0.193SC..BIsolated β-bridgetrans-137.672.7175-172-167.763.700109.6I232 P233 L386 Y389 I390I232-M235 HydrophobicContact CD1-CB 3.9Å; I232-M235 HydrophobicContact CG1-CB 3.85Å; I232-M235 CarbonylContact O-C 3.57Å; I232-M235 PolarHBondContact O-N 2.92Å; P233-M235 PolarHBondContact O-N 3Å; M235-L386 HydrophobicContact CB-CD1 4.27Å; M235-L386 HydrophobicContact CB-CD2 4.46Å; M235-L386 HydrophobicContact CE-CD1 4.25Å; M235-L386 HydrophobicContact SD-CD1 3.78Å; M235-Y389 HydrophobicContact CE-CE1 4.28Å; M235-I390 HydrophobicContact SD-CD1 3.82Å; M235-I390 HydrophobicContact SD-CG1 4.05Å
236P95.8Very high94.5Very high5 Ų539.1 Ų39.13%0.03219%0.188CC..PPolyproline II helixtrans-61.2135.3177-23.938000110P233 I269 R271 F371P233-P236 WeakPolarHBondContact O-CD 3.49Å; P233-P236 VanDerWaalsContact O-CG 3.25Å; P233-P236 WeakPolarHBondContact O-CG 3.42Å; P236-I269 WeakPolarHBondContact CB-O 3.48Å; P236-I269 HydrophobicContact CG-CD1 4.4Å; P236-I269 HydrophobicContact CG-CG1 4.15Å; P236-R271 HydrophobicContact CB-CG 4.01Å; P236-F371 HydrophobicContact CB-CE2 4.38Å; P236-F371 HydrophobicContact CB-CZ 4.4Å; P236-F371 HydrophobicContact CG-CD1 3.68Å; P236-F371 HydrophobicContact CG-CD2 3.93Å; P236-F371 HydrophobicContact CG-CE1 3.54Å; P236-F371 HydrophobicContact CG-CE2 3.79Å; P236-F371 HydrophobicContact CG-CG 3.88Å; P236-F371 HydrophobicContact CG-CZ 3.6Å
237P94.3Very high94.6Very high15 Ų1541.5 Ų41.510%0.09720%0.199CC..PPolyproline II helixtrans-71.5157.2-173.137.2-41.4000110.3F231 W241 I276F231-P237 HydrophobicContact CD1-CG 4.06Å; F231-P237 HydrophobicContact CE1-CG 3.97Å; P237-W241 HydrophobicContact CB-CB 3.59Å; P237-W241 HydrophobicContact CB-CG 4.06Å; P237-W241 HydrophobicContact CG-CB 4Å; P237-W241 HydrophobicContact CG-CD2 4.48Å; P237-W241 HydrophobicContact CG-CG 3.89Å; P237-I276 HydrophobicContact CG-CD1 3.59Å
238T92.7Very high94.5Very high46 Ų4641.7 Ų41.728%0.28220%0.198SC..PPolyproline II helixtrans-66.4162.5177.447.90000111.6D240 W241 K244T238-D240 WeakPolarHBondContact CB-OD1 3.47Å; T238-D240 PolarHBondContact O-N 3.05Å; T238-D240 VanDerWaalsContact O-N 3.11Å; T238-D240 PolarHBondContact OG1-OD1 3.32Å; T238-W241 WeakPolarHBondContact O-CB 3.47Å; T238-W241 VanDerWaalsContact O-CD1 3.26Å; T238-W241 PolarHBondContact O-N 2.77Å; T238-K244 PolarHBondContact OG1-NZ 3.49Å
239D90.2Very high94.6Very high144 Ų14441.3 Ų41.377%0.7720%0.196SC*.THydrogen-bonded Turntrans-59.3-29.6-174.2-62.1-24000113.6W241D239-W241 PolarHBondContact O-N 3.22Å
240D92.6Very high94.4Very high57 Ų5744.5 Ų44.531%0.30521%0.208SC..THydrogen-bonded Turntrans-81.913.5175.566.9-20.1000113.9T238 R242 E243 K244T238-D240 WeakPolarHBondContact CB-OD1 3.47Å; T238-D240 PolarHBondContact O-N 3.05Å; T238-D240 VanDerWaalsContact O-N 3.11Å; T238-D240 PolarHBondContact OG1-OD1 3.32Å; D240-R242 PolarHBondContact O-N 3.13Å; D240-R242 VanDerWaalsContact O-N 3.12Å; D240-E243 PolarHBondContact O-N 2.8Å; D240-E243 VanDerWaalsContact O-N 3.12Å; D240-K244 PolarHBondContact O-N 3.44Å; D240-K244 IonicContact OD1-NZ 2.73Å; D240-K244 PolarHBondContact OD1-NZ 3.14Å; D240-K244 WeakPolarHBondContact OD2-CE 3.15Å; D240-K244 IonicContact OD2-NZ 2.7Å; D240-K244 PolarHBondContact OD2-NZ 3.35Å
241W94Very high94Very high15 Ų1546.4 Ų46.46%0.05722%0.217CC..Hα-helixtrans-58.1-31.2-176.372.4-95.3000113.7F231 P237 T238 D239 E243 K244 L245 I280 V281 L284F231-W241 HydrophobicContact CE1-CD2 4.12Å; F231-W241 AromaticContact CE1-CE3 3.72Å; F231-W241 HydrophobicContact CE1-CE3 3.72Å; F231-W241 HydrophobicContact CE1-CH2 4.49Å; F231-W241 AromaticContact CE1-CZ3 3.93Å; F231-W241 HydrophobicContact CE1-CZ3 3.93Å; F231-W241 HydrophobicContact CZ-CD2 4.46Å; F231-W241 AromaticContact CZ-CE3 3.61Å; F231-W241 HydrophobicContact CZ-CE3 3.61Å; F231-W241 HydrophobicContact CZ-CH2 4.37Å; F231-W241 AromaticContact CZ-CZ3 3.57Å; F231-W241 HydrophobicContact CZ-CZ3 3.57Å; P237-W241 HydrophobicContact CB-CB 3.59Å; P237-W241 HydrophobicContact CB-CG 4.06Å; P237-W241 HydrophobicContact CG-CB 4Å; P237-W241 HydrophobicContact CG-CD2 4.48Å; P237-W241 HydrophobicContact CG-CG 3.89Å; T238-W241 WeakPolarHBondContact O-CB 3.47Å; T238-W241 VanDerWaalsContact O-CD1 3.26Å; T238-W241 PolarHBondContact O-N 2.77Å; D239-W241 PolarHBondContact O-N 3.22Å; W241-E243 VanDerWaalsContact C-N 3.35Å; W241-K244 PolarHBondContact O-N 3.05Å; W241-L245 HydrophobicContact CE3-CB 4.44Å; W241-L245 HydrophobicContact CE3-CD2 4.28Å; W241-L245 HydrophobicContact CZ3-CD2 3.9Å; W241-L245 WeakPolarHBondContact O-CB 3.49Å; W241-L245 PolarHBondContact O-N 2.7Å; W241-I280 HydrophobicContact CH2-CG2 4.22Å; W241-I280 HydrophobicContact CZ2-CG2 4.25Å; W241-V281 HydrophobicContact CH2-CG2 4.18Å; W241-V281 HydrophobicContact CZ3-CG2 4.37Å; W241-L284 HydrophobicContact CE3-CD2 4.27Å; W241-L284 HydrophobicContact CH2-CD2 3.88Å; W241-L284 HydrophobicContact CZ3-CD2 3.53Å
242R95.5Very high93.5Very high140 Ų14047 Ų4753%0.52822%0.22SC..Hα-helixtrans-61.6-46.9179.3-63-175.1175.5-175.40.4110.7D240 C246 L284D240-R242 PolarHBondContact O-N 3.13Å; D240-R242 VanDerWaalsContact O-N 3.12Å; R242-C246 WeakPolarHBondContact O-CB 3.24Å; R242-C246 PolarHBondContact O-N 3.07Å; R242-C246 PolarHBondContact O-SG 3.05Å; R242-L284 HydrophobicContact CB-CD1 3.89Å; R242-L284 HydrophobicContact CB-CD2 3.82Å; R242-L284 HydrophobicContact CG-CD1 4.21Å; R242-L284 HydrophobicContact CG-CD2 3.94Å
243E94.9Very high93Very high143 Ų14349 Ų4967%0.66823%0.228SC*.Hα-helixtrans-68.6-45.3179.3-64.8160-179.400110.5D240 W241 L245 C246 H247D240-E243 PolarHBondContact O-N 2.8Å; D240-E243 VanDerWaalsContact O-N 3.12Å; W241-E243 VanDerWaalsContact C-N 3.35Å; E243-L245 PolarHBondContact O-N 2.96Å; E243-C246 PolarHBondContact O-N 2.99Å; E243-H247 VanDerWaalsContact O-CB 3.26Å; E243-H247 WeakPolarHBondContact O-CB 3.43Å; E243-H247 PolarHBondContact O-N 2.94Å
244K93.2Very high92.5Very high88 Ų8854.9 Ų54.938%0.38326%0.255SS..Hα-helixtrans-60.2-44.7177.1-75.3174.2166.3147.90112.6W229 T238 D240 W241 K248W229-K244 HydrophobicContact CH2-CB 3.95Å; W229-K244 HydrophobicContact CZ3-CB 4.4Å; T238-K244 PolarHBondContact OG1-NZ 3.49Å; D240-K244 PolarHBondContact O-N 3.44Å; D240-K244 IonicContact OD1-NZ 2.73Å; D240-K244 PolarHBondContact OD1-NZ 3.14Å; D240-K244 WeakPolarHBondContact OD2-CE 3.15Å; D240-K244 IonicContact OD2-NZ 2.7Å; D240-K244 PolarHBondContact OD2-NZ 3.35Å; W241-K244 PolarHBondContact O-N 3.05Å; K244-K248 VanDerWaalsContact O-CB 3.31Å; K244-K248 WeakPolarHBondContact O-CB 3.49Å; K244-K248 PolarHBondContact O-N 2.83Å
245L94.4Very high91.8Very high0 Ų060 Ų600%028%0.279CS..Hα-helixtrans-62.8-50.3176.3176.363.1000110.4W229 F231 W241 E243 H247 K248 L249 I262 V281 L284 I285W229-L245 HydrophobicContact CB-CD1 3.71Å; W229-L245 HydrophobicContact CD2-CD1 3.86Å; W229-L245 HydrophobicContact CE3-CB 4.41Å; W229-L245 HydrophobicContact CE3-CD1 3.82Å; W229-L245 HydrophobicContact CG-CD1 3.8Å; F231-L245 HydrophobicContact CE2-CD2 4.49Å; F231-L245 HydrophobicContact CZ-CD2 4.23Å; W241-L245 HydrophobicContact CE3-CB 4.44Å; W241-L245 HydrophobicContact CE3-CD2 4.28Å; W241-L245 HydrophobicContact CZ3-CD2 3.9Å; W241-L245 WeakPolarHBondContact O-CB 3.49Å; W241-L245 PolarHBondContact O-N 2.7Å; E243-L245 PolarHBondContact O-N 2.96Å; L245-H247 VanDerWaalsContact C-N 3.33Å; L245-H247 PolarHBondContact O-N 3.23Å; L245-K248 WeakPolarHBondContact O-CB 3.36Å; L245-K248 PolarHBondContact O-N 2.82Å; L245-K248 VanDerWaalsContact O-N 3.16Å; L245-L249 HydrophobicContact CD1-CD1 3.91Å; L245-L249 HydrophobicContact CD1-CD2 4.38Å; L245-L249 HydrophobicContact CD1-CG 3.97Å; L245-L249 HydrophobicContact CG-CD1 4.01Å; L245-L249 HydrophobicContact CG-CG 4.4Å; L245-L249 WeakPolarHBondContact O-CG 3.17Å; L245-L249 PolarHBondContact O-N 3.41Å; L245-I262 HydrophobicContact CD1-CD1 4.09Å; L245-I262 HydrophobicContact CD2-CD1 4.33Å; L245-V281 HydrophobicContact CD2-CG1 4.04Å; L245-L284 HydrophobicContact CD2-CD2 4.16Å; L245-I285 HydrophobicContact CD2-CD1 4.43Å; L245-I285 HydrophobicContact CD2-CG1 4.47Å
246C94.8Very high91.1Very high8 Ų859.5 Ų59.55%0.05429%0.289CS..Hα-helixtrans-61.1-43-179.3-74.50000112.1R242 E243 R250 L289R242-C246 WeakPolarHBondContact O-CB 3.24Å; R242-C246 PolarHBondContact O-N 3.07Å; R242-C246 PolarHBondContact O-SG 3.05Å; E243-C246 PolarHBondContact O-N 2.99Å; C246-R250 VanDerWaalsContact O-CB 3.3Å; C246-R250 WeakPolarHBondContact O-CB 3.39Å; C246-R250 PolarHBondContact O-N 2.92Å; C246-L289 HydrophobicContact CB-CD1 4.38Å; C246-L289 HydrophobicContact CB-CD2 4.11Å; C246-L289 HydrophobicContact CB-CG 4.27Å
247H92.8Very high90.7Very high80 Ų8060.6 Ų60.637%0.3729%0.293SS..Hα-helixtrans-59.9-46.7174.3178.871.8000111.3E243 L245 L249 R250 M251E243-H247 VanDerWaalsContact O-CB 3.26Å; E243-H247 WeakPolarHBondContact O-CB 3.43Å; E243-H247 PolarHBondContact O-N 2.94Å; L245-H247 VanDerWaalsContact C-N 3.33Å; L245-H247 PolarHBondContact O-N 3.23Å; H247-L249 PolarHBondContact O-N 2.99Å; H247-R250 PolarHBondContact O-N 2.76Å; H247-M251 WeakPolarHBondContact O-CG 3.45Å; H247-M251 PolarHBondContact O-N 3.28Å
248K90.6Very high90.4Very high14 Ų1463.8 Ų63.86%0.06130%0.303CS..Hα-helixtrans-58-51.7179172.4153.9-154.1-173.60112.8D228 W229 K244 L245 R250 M251 N252 S393 I395D228-K248 VanDerWaalsContact O-CD 3.25Å; D228-K248 WeakPolarHBondContact O-CD 3.35Å; D228-K248 WeakPolarHBondContact O-CE 3.29Å; D228-K248 PolarHBondContact O-NZ 2.72Å; W229-K248 HydrophobicContact CE3-CB 4.43Å; W229-K248 HydrophobicContact CE3-CD 3.64Å; W229-K248 HydrophobicContact CE3-CG 4.47Å; W229-K248 HydrophobicContact CZ3-CB 4.33Å; W229-K248 HydrophobicContact CZ3-CD 3.86Å; K244-K248 VanDerWaalsContact O-CB 3.31Å; K244-K248 WeakPolarHBondContact O-CB 3.49Å; K244-K248 PolarHBondContact O-N 2.83Å; L245-K248 WeakPolarHBondContact O-CB 3.36Å; L245-K248 PolarHBondContact O-N 2.82Å; L245-K248 VanDerWaalsContact O-N 3.16Å; K248-R250 VanDerWaalsContact C-N 3.33Å; K248-R250 PolarHBondContact O-N 3.44Å; K248-M251 PolarHBondContact O-N 2.85Å; K248-N252 WeakPolarHBondContact O-CB 3.36Å; K248-N252 PolarHBondContact O-N 3.46Å; K248-S393 WeakPolarHBondContact CE-O 3.27Å; K248-S393 PolarHBondContact NZ-O 2.72Å; K248-I395 HydrophobicContact CB-CD1 3.31Å; K248-I395 HydrophobicContact CD-CD1 3.54Å; K248-I395 HydrophobicContact CD-CG1 4.01Å; K248-I395 HydrophobicContact CG-CD1 3.2Å; K248-I395 HydrophobicContact CG-CG1 4.05Å
249L92.8Very high90.3Very high0 Ų062.6 Ų62.60%030%0.296CS..Hα-helixtrans-63.6-42-178.5-63.7177.5000110.9D228 L245 H247 N252 R253 N260 I262 I285 L289D228-L249 HydrophobicContact CB-CD2 3.86Å; L245-L249 HydrophobicContact CD1-CD1 3.91Å; L245-L249 HydrophobicContact CD1-CD2 4.38Å; L245-L249 HydrophobicContact CD1-CG 3.97Å; L245-L249 HydrophobicContact CG-CD1 4.01Å; L245-L249 HydrophobicContact CG-CG 4.4Å; L245-L249 WeakPolarHBondContact O-CG 3.17Å; L245-L249 PolarHBondContact O-N 3.41Å; H247-L249 PolarHBondContact O-N 2.99Å; L249-N252 PolarHBondContact O-N 2.77Å; L249-R253 WeakPolarHBondContact O-CG 3.47Å; L249-R253 PolarHBondContact O-N 3.12Å; L249-N260 HydrophobicContact CD2-CB 3.8Å; L249-I262 HydrophobicContact CD1-CD1 4.14Å; L249-I285 HydrophobicContact CD1-CD1 3.9Å; L249-I285 HydrophobicContact CD1-CG1 3.92Å; L249-I285 HydrophobicContact CD1-CG2 4.48Å; L249-L289 HydrophobicContact CB-CD1 3.65Å; L249-L289 HydrophobicContact CD1-CD1 3.9Å; L249-L289 HydrophobicContact CG-CD1 4.42Å
250R92.1Very high90.5Very high111 Ų11155.8 Ų55.842%0.41926%0.259SS..Hα-helixtrans-59.3-49.9176.4-170.7-174.8-58.3138.53.3111.6C246 H247 K248 N252 R253 E254 L289C246-R250 VanDerWaalsContact O-CB 3.3Å; C246-R250 WeakPolarHBondContact O-CB 3.39Å; C246-R250 PolarHBondContact O-N 2.92Å; H247-R250 PolarHBondContact O-N 2.76Å; K248-R250 VanDerWaalsContact C-N 3.33Å; K248-R250 PolarHBondContact O-N 3.44Å; R250-N252 VanDerWaalsContact C-N 3.34Å; R250-N252 PolarHBondContact O-N 3.49Å; R250-R253 WeakPolarHBondContact O-CB 3.26Å; R250-R253 PolarHBondContact O-N 3Å; R250-R253 VanDerWaalsContact O-N 3.16Å; R250-E254 WeakPolarHBondContact CG-OE1 3.2Å; R250-E254 WeakPolarHBondContact O-CG 3.45Å; R250-E254 PolarHBondContact O-N 2.88Å; R250-L289 HydrophobicContact CB-CD2 4.3Å
251M87.9Confident90.6Very high42 Ų4253.4 Ų53.421%0.20725%0.247CC..Hα-helixtrans-57.3-46.7176.2-72.2-66.198.600111.6H247 K248 R253 E254 H255 I395H247-M251 WeakPolarHBondContact O-CG 3.45Å; H247-M251 PolarHBondContact O-N 3.28Å; K248-M251 PolarHBondContact O-N 2.85Å; M251-R253 VanDerWaalsContact C-N 3.31Å; M251-R253 PolarHBondContact O-N 3.08Å; M251-E254 WeakPolarHBondContact CE-OE2 3.23Å; M251-E254 PolarHBondContact O-N 3Å; M251-H255 PolarHBondContact O-N 3.41Å; M251-H255 PolarHBondContact O-ND1 2.77Å; M251-I395 HydrophobicContact CB-CG2 4.1Å
252N87.1Confident90.8Very high14 Ų1452.7 Ų52.78%0.07524%0.244CC..Hα-helixtrans-60.1-41.8178.5-75.4-7.3000111.7D228 K248 L249 R250 H255 Q257D228-N252 PolarHBondContact OD1-ND2 3.46Å; K248-N252 WeakPolarHBondContact O-CB 3.36Å; K248-N252 PolarHBondContact O-N 3.46Å; L249-N252 PolarHBondContact O-N 2.77Å; R250-N252 VanDerWaalsContact C-N 3.34Å; R250-N252 PolarHBondContact O-N 3.49Å; N252-H255 CarbonylContact O-C 3.48Å; N252-H255 PolarHBondContact O-N 3.35Å; N252-Q257 HydrophobicContact CB-CB 4.16Å; N252-Q257 WeakPolarHBondContact O-CB 3.36Å; N252-Q257 PolarHBondContact O-N 3.48Å
253R87.8Confident90.9Very high45 Ų4546 Ų4617%0.1722%0.219CC..Hα-helixtrans-63.3-44.3175.3-70.1-55.2-175.6137.8-10112.9Q202 R203 L249 R250 M251 H255 G256 Q257 R258 N260 L291Q202-R253 VanDerWaalsContact O-CZ 3.3Å; Q202-R253 PolarHBondContact O-NH1 2.81Å; Q202-R253 PolarHBondContact O-NH2 2.86Å; R203-R253 PolarHBondContact O-NH2 3.27Å; L249-R253 WeakPolarHBondContact O-CG 3.47Å; L249-R253 PolarHBondContact O-N 3.12Å; R250-R253 WeakPolarHBondContact O-CB 3.26Å; R250-R253 PolarHBondContact O-N 3Å; R250-R253 VanDerWaalsContact O-N 3.16Å; M251-R253 VanDerWaalsContact C-N 3.31Å; M251-R253 PolarHBondContact O-N 3.08Å; R253-H255 PolarHBondContact O-N 2.69Å; R253-G256 WeakPolarHBondContact O-CA 3.47Å; R253-G256 PolarHBondContact O-N 2.86Å; R253-Q257 WeakPolarHBondContact CD-O 3.49Å; R253-R258 PolarHBondContact NH1-O 3.05Å; R253-R258 VanDerWaalsContact NH1-O 3.15Å; R253-R258 PolarHBondContact NH2-O 3.4Å; R253-N260 VanDerWaalsContact CZ-OD1 3.29Å; R253-N260 PolarHBondContact NE-OD1 3.42Å; R253-N260 PolarHBondContact NH2-OD1 3.29Å; R253-L291 HydrophobicContact CG-CD1 4.46Å; R253-L291 HydrophobicContact CG-CD2 4.5Å
254E86.6Confident91Very high125 Ų12539.3 Ų39.358%0.58419%0.188SC*.Hα-helixtrans-62.3-33.7177.5-72.6174.3-163.500111.8R250 M251 G256R250-E254 WeakPolarHBondContact CG-OE1 3.2Å; R250-E254 WeakPolarHBondContact O-CG 3.45Å; R250-E254 PolarHBondContact O-N 2.88Å; M251-E254 WeakPolarHBondContact CE-OE2 3.23Å; M251-E254 PolarHBondContact O-N 3Å; E254-G256 PolarHBondContact O-N 3.01Å; E254-G256 VanDerWaalsContact O-N 3.14Å
255H81.6Confident91.3Very high111 Ų11135.2 Ų35.251%0.51417%0.17SC..THydrogen-bonded Turntrans-79.920.5171.4-65.881.7000113.1M251 N252 R253 Q257 R465M251-H255 PolarHBondContact O-N 3.41Å; M251-H255 PolarHBondContact O-ND1 2.77Å; N252-H255 CarbonylContact O-C 3.48Å; N252-H255 PolarHBondContact O-N 3.35Å; R253-H255 PolarHBondContact O-N 2.69Å; H255-Q257 PolarHBondContact O-N 3.02Å; H255-R465 PolarHBondContact O-NH1 3.19Å; H255-R465 PolarHBondContact O-NH2 3.48Å
256G82.5Confident91.4Very high47 Ų4739.3 Ų39.349%0.48519%0.189SC..THydrogen-bonded Turntrans77.712.1173.600000115.6R253 E254 R258 R465R253-G256 WeakPolarHBondContact O-CA 3.47Å; R253-G256 PolarHBondContact O-N 2.86Å; E254-G256 PolarHBondContact O-N 3.01Å; E254-G256 VanDerWaalsContact O-N 3.14Å; G256-R258 PolarHBondContact O-N 3.47Å; G256-R465 PolarHBondContact O-NH1 3.08Å
257Q85.8Confident91.5Very high27 Ų2739.5 Ų39.513%0.12619%0.192CC..  trans-69.3125.2177.6-166.4169-37.200109.5D228 N252 R253 H255 V259 R465D228-Q257 PolarHBondContact OD1-NE2 3.25Å; D228-Q257 PolarHBondContact OD2-NE2 3.22Å; N252-Q257 HydrophobicContact CB-CB 4.16Å; N252-Q257 WeakPolarHBondContact O-CB 3.36Å; N252-Q257 PolarHBondContact O-N 3.48Å; R253-Q257 WeakPolarHBondContact CD-O 3.49Å; H255-Q257 PolarHBondContact O-N 3.02Å; Q257-V259 WeakPolarHBondContact CG-O 3.45Å; Q257-V259 PolarHBondContact NE2-O 3.43Å; Q257-R465 VanDerWaalsContact N-NH1 3.18Å
258R88.4Confident91.7Very high83 Ų8335.9 Ų35.931%0.31318%0.176SC..  trans-89.8-28.9-178.1-65.5175.357.7804.1112.7H199 Q202 R253 G256H199-R258 WeakPolarHBondContact NE2-CD 3.4Å; H199-R258 PolarHBondContact NE2-NE 3.14Å; H199-R258 PolarHBondContact O-NE 3.4Å; H199-R258 PolarHBondContact O-NH2 3.4Å; Q202-R258 CarbonylContact C-O 3.47Å; Q202-R258 WeakPolarHBondContact CA-O 3.39Å; Q202-R258 VanDerWaalsContact CD-NH1 3.31Å; Q202-R258 HydrophobicContact CG-CB 4.37Å; Q202-R258 HydrophobicContact CG-CG 4.49Å; Q202-R258 VanDerWaalsContact CG-CZ 3.43Å; Q202-R258 VanDerWaalsContact CG-NH2 3.28Å; R253-R258 PolarHBondContact NH1-O 3.05Å; R253-R258 VanDerWaalsContact NH1-O 3.15Å; R253-R258 PolarHBondContact NH2-O 3.4Å; G256-R258 PolarHBondContact O-N 3.47Å
259V91.4Very high92Very high21 Ų2136.6 Ų36.613%0.12718%0.181CC..  trans-114.6134.6-174.6179.30000109.3A198 H199 Q257 I261A198-V259 HydrophobicContact CB-CB 4.35Å; A198-V259 HydrophobicContact CB-CG1 3.6Å; A198-V259 HydrophobicContact CB-CG2 3.92Å; H199-V259 HydrophobicContact CB-CG2 3.62Å; Q257-V259 WeakPolarHBondContact CG-O 3.45Å; Q257-V259 PolarHBondContact NE2-O 3.43Å; V259-I261 HydrophobicContact CG1-CD1 3.75Å; V259-I261 HydrophobicContact CG1-CG1 3.94Å
260N93.7Very high92.1Very high0 Ų038.4 Ų38.40%019%0.191CC..EExtended strand (participates in β ladder)trans-116.5135.1161.1-57.9108.5000110.9R203 C204 F205 D228 L249 R253R203-N260 PolarHBondContact O-N 3.46Å; R203-N260 VanDerWaalsContact O-N 3.16Å; C204-N260 CarbonylContact C-O 3.54Å; C204-N260 WeakPolarHBondContact CA-O 3.45Å; C204-N260 HydrophobicContact CB-CB 4.17Å; F205-N260 PolarHBondContact N-O 2.69Å; D228-N260 PolarHBondContact OD1-ND2 3.29Å; D228-N260 WeakPolarHBondContact OD2-CA 3.31Å; D228-N260 WeakPolarHBondContact OD2-CB 3.39Å; L249-N260 HydrophobicContact CD2-CB 3.8Å; R253-N260 VanDerWaalsContact CZ-OD1 3.29Å; R253-N260 PolarHBondContact NE-OD1 3.42Å; R253-N260 PolarHBondContact NH2-OD1 3.29Å
261I95.1Very high92.1Very high7 Ų739.6 Ų39.64%0.03620%0.195CC..EExtended strand (participates in β ladder)trans-117.2125.5175.1-58.2-58.5000108.5T191 F205 L207 A227 D228 V259 M263T191-I261 HydrophobicContact CG2-CG2 4.36Å; F205-I261 HydrophobicContact CB-CD1 4Å; F205-I261 WeakPolarHBondContact O-CA 3.48Å; L207-I261 HydrophobicContact CD1-CG2 3.72Å; A227-I261 HydrophobicContact CB-CG2 4.31Å; D228-I261 PolarHBondContact N-O 3.24Å; D228-I261 PolarHBondContact OD2-N 3.2Å; V259-I261 HydrophobicContact CG1-CD1 3.75Å; V259-I261 HydrophobicContact CG1-CG1 3.94Å; I261-M263 HydrophobicContact CG2-CE 4.01Å
262I97.2Very high92.3Very high0 Ų040.9 Ų40.90%021%0.212CC..EExtended strand (participates in β ladder)trans-118.5124.8173.5-60.5172.5000107.8F205 I206 L207 W229 F231 L245 L249 V264 V281 I285F205-I262 PolarHBondContact O-N 2.91Å; I206-I262 CarbonylContact C-O 3.48Å; I206-I262 WeakPolarHBondContact CA-O 3.43Å; I206-I262 HydrophobicContact CG1-CB 4.27Å; I206-I262 HydrophobicContact CG1-CD1 4.39Å; L207-I262 PolarHBondContact N-O 2.72Å; W229-I262 HydrophobicContact CB-CG1 4.38Å; W229-I262 HydrophobicContact CB-CG2 4.32Å; W229-I262 WeakPolarHBondContact O-CA 3.44Å; F231-I262 HydrophobicContact CD2-CG2 4Å; F231-I262 HydrophobicContact CE2-CG2 3.83Å; L245-I262 HydrophobicContact CD1-CD1 4.09Å; L245-I262 HydrophobicContact CD2-CD1 4.33Å; L249-I262 HydrophobicContact CD1-CD1 4.14Å; I262-V264 HydrophobicContact CG2-CG2 4.16Å; I262-V281 HydrophobicContact CD1-CG1 4.07Å; I262-V281 HydrophobicContact CG2-CG1 4.28Å; I262-I285 HydrophobicContact CD1-CD1 3.23Å
263M97.8Very high92.5Very high0 Ų042.4 Ų42.40%022%0.223CC..EExtended strand (participates in β ladder)trans-97129.9176.4-69.4-67.6-174.900109.4I187 T191 L207 V209 A221 S222 C225 A227 W229 V230 F231 I261I187-M263 HydrophobicContact CG2-CE 4.48Å; T191-M263 HydrophobicContact CG2-CE 3.85Å; T191-M263 WeakPolarHBondContact OG1-CE 3.43Å; L207-M263 HydrophobicContact CB-CE 4.48Å; L207-M263 HydrophobicContact CB-SD 3.64Å; L207-M263 HydrophobicContact CD1-CE 3.51Å; L207-M263 HydrophobicContact CD1-SD 3.81Å; L207-M263 HydrophobicContact CG-SD 4.34Å; V209-M263 HydrophobicContact CG2-SD 3.78Å; A221-M263 HydrophobicContact CB-CE 4.41Å; S222-M263 VanDerWaalsContact OG-CB 3.28Å; S222-M263 WeakPolarHBondContact OG-CB 3.41Å; S222-M263 VanDerWaalsContact OG-CG 3.3Å; S222-M263 WeakPolarHBondContact OG-CG 3.48Å; C225-M263 WeakPolarHBondContact SG-CE 3.46Å; A227-M263 HydrophobicContact CB-CB 4.5Å; A227-M263 HydrophobicContact CB-CG 3.8Å; W229-M263 PolarHBondContact O-N 2.92Å; V230-M263 CarbonylContact C-O 3.54Å; V230-M263 VanDerWaalsContact CA-O 3.28Å; V230-M263 WeakPolarHBondContact CA-O 3.45Å; V230-M263 HydrophobicContact CB-CB 4.42Å; V230-M263 HydrophobicContact CG2-CB 3.89Å; F231-M263 PolarHBondContact N-O 3.31Å; I261-M263 HydrophobicContact CG2-CE 4.01Å
264V98.4Very high92.8Very high3 Ų346.6 Ų46.62%0.01824%0.243CC..EExtended strand (participates in β ladder)trans-124.7114.4177.6-176.20000107.7I206 L207 E208 V209 F231 I262 A268I206-V264 HydrophobicContact CG2-CG2 3.57Å; L207-V264 PolarHBondContact O-N 3.43Å; E208-V264 WeakPolarHBondContact CA-O 3.23Å; V209-V264 PolarHBondContact N-O 3.18Å; F231-V264 HydrophobicContact CB-CG1 4.36Å; F231-V264 HydrophobicContact CD2-CG2 3.96Å; I262-V264 HydrophobicContact CG2-CG2 4.16Å; V264-A268 HydrophobicContact CG1-CB 3.95Å
265A98.5Very high93.2Very high2 Ų245 Ų452%0.01724%0.243CC..EExtended strand (participates in β ladder)trans-65.5142.617000000109.6V209 A218 F231 G267 A268V209-A265 CarbonylContact O-C 3.56Å; A218-A265 HydrophobicContact CB-CB 3.88Å; F231-A265 WeakPolarHBondContact O-CB 3.35Å; F231-A265 PolarHBondContact O-N 3.24Å; A265-G267 PolarHBondContact O-N 3.42Å; A265-G267 VanDerWaalsContact O-N 3.08Å; A265-A268 WeakPolarHBondContact O-CB 3.48Å; A265-A268 PolarHBondContact O-N 2.9Å
266E96.8Very high94Very high85 Ų8540.1 Ų40.140%0.39722%0.221SC..THydrogen-bonded Turntrans-58.5-25.8178.669.9-176.2158.800113V209 G211 R212V209-E266 PolarHBondContact O-N 3.36Å; G211-E266 PolarHBondContact N-OE1 3.24Å; R212-E266 VanDerWaalsContact CA-OE1 3.25Å; R212-E266 WeakPolarHBondContact CA-OE1 3.23Å; R212-E266 PolarHBondContact N-OE1 3.35Å
267G96.4Very high94.7Very high12 Ų1241 Ų4112%0.12422%0.217CC..THydrogen-bonded Turntrans-92.414.1174.800000115.4R212 P233 A265 I269R212-G267 VanDerWaalsContact O-CA 3.23Å; R212-G267 WeakPolarHBondContact O-CA 3.14Å; R212-G267 PolarHBondContact O-N 2.99Å; P233-G267 WeakPolarHBondContact CB-O 3.49Å; A265-G267 PolarHBondContact O-N 3.42Å; A265-G267 VanDerWaalsContact O-N 3.08Å; G267-I269 PolarHBondContact O-N 3.22Å
268A97.5Very high95.2Very high4 Ų439.9 Ų39.93%0.03321%0.212CC..  trans-62133.2-176.600000112.9F231 V264 A265 P275 I276F231-A268 HydrophobicContact CB-CB 3.83Å; V264-A268 HydrophobicContact CG1-CB 3.95Å; A265-A268 WeakPolarHBondContact O-CB 3.48Å; A265-A268 PolarHBondContact O-N 2.9Å; A268-P275 WeakPolarHBondContact O-CA 3.01Å; A268-I276 HydrophobicContact CB-CB 4.38Å; A268-I276 PolarHBondContact O-N 2.93Å
269I96.7Very high95.7Very high29 Ų2939.9 Ų39.915%0.14922%0.216CC..BIsolated β-bridgetrans-135.6160.5-179.255169000111.6P233 P236 G267 K274 I276 M366 F371P233-I269 HydrophobicContact CB-CG1 4.31Å; P236-I269 WeakPolarHBondContact CB-O 3.48Å; P236-I269 HydrophobicContact CG-CD1 4.4Å; P236-I269 HydrophobicContact CG-CG1 4.15Å; G267-I269 PolarHBondContact O-N 3.22Å; I269-K274 CarbonylContact C-O 3.19Å; I269-K274 WeakPolarHBondContact CA-O 3.11Å; I269-I276 WeakPolarHBondContact O-CD1 3.49Å; I269-M366 HydrophobicContact CD1-CE 3.73Å; I269-F371 HydrophobicContact CD1-CE1 4.1Å
270D94.9Very high95.9Very high39 Ų3942.1 Ų42.121%0.20923%0.226CC..  trans-88.3177.3166.271.914.6000111.8A272 C273 K274 I276D270-A272 PolarHBondContact O-N 3.26Å; D270-A272 VanDerWaalsContact OD1-CA 3.29Å; D270-A272 WeakPolarHBondContact OD1-CA 3.43Å; D270-A272 WeakPolarHBondContact OD1-CB 3.43Å; D270-A272 PolarHBondContact OD1-N 2.93Å; D270-C273 WeakPolarHBondContact O-CA 3.26Å; D270-C273 PolarHBondContact O-N 2.95Å; D270-C273 PolarHBondContact OD1-N 3.3Å; D270-C273 VanDerWaalsContact OD1-N 3.08Å; D270-K274 PolarHBondContact N-O 3.14Å; D270-K274 WeakPolarHBondContact OD1-CB 3.29Å; D270-K274 PolarHBondContact OD1-N 3.02Å; D270-I276 HydrophobicContact CB-CD1 4.03Å; D270-I276 HydrophobicContact CB-CG1 4.16Å
271R93.2Very high96.1Very high135 Ų13542.1 Ų42.151%0.50923%0.226SC..THydrogen-bonded Turntrans-66.8-18.2178.9-73-178.1173.2-131.8-5.8114.1P236 C273 F371P236-R271 HydrophobicContact CB-CG 4.01Å; R271-C273 PolarHBondContact O-N 3.38Å; R271-F371 HydrophobicContact CG-CE2 4.44Å
272A91Very high96.2Very high69 Ų6944.4 Ų44.457%0.5724%0.236SC*.THydrogen-bonded Turntrans-87.812.6170.800000111.8D270 K274D270-A272 PolarHBondContact O-N 3.26Å; D270-A272 VanDerWaalsContact OD1-CA 3.29Å; D270-A272 WeakPolarHBondContact OD1-CA 3.43Å; D270-A272 WeakPolarHBondContact OD1-CB 3.43Å; D270-A272 PolarHBondContact OD1-N 2.93Å; A272-K274 HydrophobicContact CB-CG 4.47Å; A272-K274 PolarHBondContact O-N 2.77Å
273C90.5Very high96.2Very high46 Ų4648.5 Ų48.531%0.31126%0.258SS..SBendtrans60.127.7178.5-69.90000112D270 R271 C369D270-C273 WeakPolarHBondContact O-CA 3.26Å; D270-C273 PolarHBondContact O-N 2.95Å; D270-C273 PolarHBondContact OD1-N 3.3Å; D270-C273 VanDerWaalsContact OD1-N 3.08Å; R271-C273 PolarHBondContact O-N 3.38Å; C273-C369 WeakPolarHBondContact CB-SG 3.46Å; C273-C369 WeakPolarHBondContact SG-CB 3.29Å; C273-C369 CovalentContact SG-SG 2.11Å; C273-C369 PolarHBondContact SG-SG 3.29Å
274K94.5Very high96.2Very high134 Ų13449.4 Ų49.458%0.58326%0.263SS*.  trans-93.4142.7171.9-63-179.8179.8175.60111.3I269 D270 A272 I276I269-K274 CarbonylContact C-O 3.19Å; I269-K274 WeakPolarHBondContact CA-O 3.11Å; D270-K274 PolarHBondContact N-O 3.14Å; D270-K274 WeakPolarHBondContact OD1-CB 3.29Å; D270-K274 PolarHBondContact OD1-N 3.02Å; A272-K274 HydrophobicContact CB-CG 4.47Å; A272-K274 PolarHBondContact O-N 2.77Å; K274-I276 PolarHBondContact O-N 3.05Å
275P96.5Very high96.1Very high91 Ų9149.3 Ų49.359%0.59126%0.262SS*.BIsolated β-bridgetrans-61.9134179.9-2333.4000113.6A268A268-P275 WeakPolarHBondContact O-CA 3.01Å
276I96.9Very high96Very high9 Ų952.3 Ų52.35%0.04628%0.28CS..  trans-98.8102.8167-61177.3000107.7F231 P237 A268 I269 D270 K274 V281F231-I276 HydrophobicContact CD1-CD1 3.85Å; F231-I276 HydrophobicContact CD1-CG2 3.95Å; F231-I276 HydrophobicContact CE1-CD1 4.13Å; F231-I276 HydrophobicContact CE1-CG2 4.12Å; F231-I276 HydrophobicContact CG-CG2 4.39Å; P237-I276 HydrophobicContact CG-CD1 3.59Å; A268-I276 HydrophobicContact CB-CB 4.38Å; A268-I276 PolarHBondContact O-N 2.93Å; I269-I276 WeakPolarHBondContact O-CD1 3.49Å; D270-I276 HydrophobicContact CB-CD1 4.03Å; D270-I276 HydrophobicContact CB-CG1 4.16Å; K274-I276 PolarHBondContact O-N 3.05Å; I276-V281 HydrophobicContact CG2-CG2 3.82Å
277T96.9Very high96Very high65 Ų6551.7 Ų51.740%0.39929%0.285SS..  trans-88.8156.5-179.569.80000112.1E279 I280 V281T277-E279 PolarHBondContact O-N 3.07Å; T277-I280 PolarHBondContact O-N 2.85Å; T277-I280 VanDerWaalsContact O-N 3.1Å; T277-I280 WeakPolarHBondContact OG1-CG1 3.37Å; T277-I280 PolarHBondContact OG1-N 3.33Å; T277-V281 PolarHBondContact O-N 3.46Å
278C97.4Very high95.9Very high4 Ų456.9 Ų56.93%0.02731%0.306CS..Hα-helixtrans-54.7-34.1173.9-65.50000112.9I206 E208 V281 K282 I295I206-C278 HydrophobicContact CG2-CB 3.95Å; E208-C278 PolarHBondContact OE2-SG 3.3Å; C278-V281 PolarHBondContact O-N 2.98Å; C278-K282 WeakPolarHBondContact O-CB 3.48Å; C278-K282 PolarHBondContact O-N 2.88Å; C278-I295 HydrophobicContact CB-CD1 3.79Å; C278-I295 HydrophobicContact CB-CG1 3.97Å; C278-I295 HydrophobicContact CB-CG2 3.73Å
279E97.8Very high95.7Very high83 Ų8358 Ų5839%0.38831%0.312SS..Hα-helixtrans-70.7-36179.4-162.363.2-154.600112.2T277 V281 K282 N283 I295T277-E279 PolarHBondContact O-N 3.07Å; E279-V281 VanDerWaalsContact C-N 3.34Å; E279-V281 PolarHBondContact O-N 3.44Å; E279-K282 PolarHBondContact O-N 3.39Å; E279-K282 IonicContact OE1-NZ 2.99Å; E279-K282 PolarHBondContact OE1-NZ 3.21Å; E279-K282 IonicContact OE2-NZ 2.67Å; E279-K282 PolarHBondContact OE2-NZ 3.37Å; E279-N283 WeakPolarHBondContact O-CB 3.38Å; E279-N283 PolarHBondContact O-N 3.47Å; E279-N283 PolarHBondContact O-ND2 3.31Å; E279-N283 PolarHBondContact OE1-OD1 3.36Å; E279-I295 HydrophobicContact CB-CD1 4.45Å; E279-I295 WeakPolarHBondContact OE2-CD1 3.49Å
280I96.8Very high95.5Very high67 Ų6764.9 Ų64.934%0.34434%0.343SS..Hα-helixtrans-60.7-47.2173.7-68.4168.9000109.9W241 T277 N283 L284W241-I280 HydrophobicContact CH2-CG2 4.22Å; W241-I280 HydrophobicContact CZ2-CG2 4.25Å; T277-I280 PolarHBondContact O-N 2.85Å; T277-I280 VanDerWaalsContact O-N 3.1Å; T277-I280 WeakPolarHBondContact OG1-CG1 3.37Å; T277-I280 PolarHBondContact OG1-N 3.33Å; I280-N283 PolarHBondContact O-N 3.04Å; I280-L284 PolarHBondContact O-N 2.53Å; I280-L284 VanDerWaalsContact O-N 3.15Å
281V97.3Very high95.4Very high0 Ų064.5 Ų64.50%034%0.341CS..Hα-helixtrans-66.1-43.2-179.4-179.80000111.1I206 F231 W241 L245 I262 I276 T277 C278 E279 L284 I285I206-V281 HydrophobicContact CD1-CB 3.99Å; I206-V281 HydrophobicContact CD1-CG1 3.77Å; I206-V281 HydrophobicContact CG1-CG1 4.34Å; F231-V281 HydrophobicContact CD2-CG2 4.43Å; F231-V281 HydrophobicContact CE2-CG1 4.21Å; F231-V281 HydrophobicContact CE2-CG2 3.91Å; F231-V281 HydrophobicContact CZ-CG2 4.06Å; W241-V281 HydrophobicContact CH2-CG2 4.18Å; W241-V281 HydrophobicContact CZ3-CG2 4.37Å; L245-V281 HydrophobicContact CD2-CG1 4.04Å; I262-V281 HydrophobicContact CD1-CG1 4.07Å; I262-V281 HydrophobicContact CG2-CG1 4.28Å; I276-V281 HydrophobicContact CG2-CG2 3.82Å; T277-V281 PolarHBondContact O-N 3.46Å; C278-V281 PolarHBondContact O-N 2.98Å; E279-V281 VanDerWaalsContact C-N 3.34Å; E279-V281 PolarHBondContact O-N 3.44Å; V281-L284 PolarHBondContact O-N 3.3Å; V281-I285 HydrophobicContact CG1-CD1 3.86Å; V281-I285 VanDerWaalsContact O-CG1 3.32Å; V281-I285 WeakPolarHBondContact O-CG1 3.23Å; V281-I285 PolarHBondContact O-N 3.13Å; V281-I285 VanDerWaalsContact O-N 3.12Å
282K97.9Very high95.5Very high56 Ų5661.1 Ų61.124%0.24333%0.333CS..Hα-helixtrans-59.5-50.1176.1178.5-172.8155.9-148.60111.8I206 C278 E279 L284 I285 V286 T293 I295I206-K282 VanDerWaalsContact CD1-CA 3.47Å; I206-K282 HydrophobicContact CD1-CB 3.68Å; I206-K282 VanDerWaalsContact CD1-N 3.31Å; C278-K282 WeakPolarHBondContact O-CB 3.48Å; C278-K282 PolarHBondContact O-N 2.88Å; E279-K282 PolarHBondContact O-N 3.39Å; E279-K282 IonicContact OE1-NZ 2.99Å; E279-K282 PolarHBondContact OE1-NZ 3.21Å; E279-K282 IonicContact OE2-NZ 2.67Å; E279-K282 PolarHBondContact OE2-NZ 3.37Å; K282-L284 VanDerWaalsContact C-N 3.29Å; K282-L284 PolarHBondContact O-N 3.41Å; K282-I285 PolarHBondContact O-N 3.14Å; K282-V286 HydrophobicContact CG-CG2 4.35Å; K282-V286 WeakPolarHBondContact O-CG2 3.44Å; K282-V286 PolarHBondContact O-N 3.16Å; K282-T293 HydrophobicContact CB-CG2 4.37Å; K282-T293 HydrophobicContact CG-CG2 4.05Å; K282-I295 HydrophobicContact CB-CD1 3.97Å; K282-I295 HydrophobicContact CB-CG1 4.21Å; K282-I295 HydrophobicContact CD-CD1 3.55Å; K282-I295 HydrophobicContact CD-CG1 3.9Å; K282-I295 HydrophobicContact CG-CD1 4.39Å
283N97.6Very high95.7Very high86 Ų8657.9 Ų57.946%0.4631%0.306SS..Hα-helixtrans-60.5-41.9-177.4-74.1-23.4000111.2E279 I280 V286 S287E279-N283 WeakPolarHBondContact O-CB 3.38Å; E279-N283 PolarHBondContact O-N 3.47Å; E279-N283 PolarHBondContact O-ND2 3.31Å; E279-N283 PolarHBondContact OE1-OD1 3.36Å; I280-N283 PolarHBondContact O-N 3.04Å; N283-V286 PolarHBondContact O-N 3.17Å; N283-S287 WeakPolarHBondContact O-CB 3.38Å; N283-S287 PolarHBondContact O-N 2.95Å; N283-S287 PolarHBondContact O-OG 3.24Å; N283-S287 VanDerWaalsContact O-OG 3.06Å
284L96.8Very high96.1Very high19 Ų1960.6 Ų60.610%0.09931%0.31CS..Hα-helixtrans-57.8-50174174.771.6000112.1W241 R242 L245 I280 V281 K282 V286 S287 E288W241-L284 HydrophobicContact CE3-CD2 4.27Å; W241-L284 HydrophobicContact CH2-CD2 3.88Å; W241-L284 HydrophobicContact CZ3-CD2 3.53Å; R242-L284 HydrophobicContact CB-CD1 3.89Å; R242-L284 HydrophobicContact CB-CD2 3.82Å; R242-L284 HydrophobicContact CG-CD1 4.21Å; R242-L284 HydrophobicContact CG-CD2 3.94Å; L245-L284 HydrophobicContact CD2-CD2 4.16Å; I280-L284 PolarHBondContact O-N 2.53Å; I280-L284 VanDerWaalsContact O-N 3.15Å; V281-L284 PolarHBondContact O-N 3.3Å; K282-L284 VanDerWaalsContact C-N 3.29Å; K282-L284 PolarHBondContact O-N 3.41Å; L284-V286 VanDerWaalsContact C-N 3.34Å; L284-V286 PolarHBondContact O-N 3.37Å; L284-S287 PolarHBondContact O-N 3.28Å; L284-S287 PolarHBondContact O-OG 2.82Å; L284-E288 HydrophobicContact CD1-CG 3.69Å; L284-E288 VanDerWaalsContact O-CB 3.31Å; L284-E288 WeakPolarHBondContact O-CB 3.34Å; L284-E288 WeakPolarHBondContact O-CG 3.47Å; L284-E288 PolarHBondContact O-N 2.99Å
285I96.6Very high96.2Very high0 Ų056.6 Ų56.60%029%0.294CS..Hα-helixtrans-66.3-39.9-176.5-66.5166.1000111I206 L245 L249 I262 V281 K282 L289 Q290 L291 T293I206-I285 HydrophobicContact CD1-CD1 4.29Å; L245-I285 HydrophobicContact CD2-CD1 4.43Å; L245-I285 HydrophobicContact CD2-CG1 4.47Å; L249-I285 HydrophobicContact CD1-CD1 3.9Å; L249-I285 HydrophobicContact CD1-CG1 3.92Å; L249-I285 HydrophobicContact CD1-CG2 4.48Å; I262-I285 HydrophobicContact CD1-CD1 3.23Å; V281-I285 HydrophobicContact CG1-CD1 3.86Å; V281-I285 VanDerWaalsContact O-CG1 3.32Å; V281-I285 WeakPolarHBondContact O-CG1 3.23Å; V281-I285 PolarHBondContact O-N 3.13Å; V281-I285 VanDerWaalsContact O-N 3.12Å; K282-I285 PolarHBondContact O-N 3.14Å; I285-L289 HydrophobicContact CG2-CD1 4.46Å; I285-L289 WeakPolarHBondContact O-CA 3.5Å; I285-L289 WeakPolarHBondContact O-CB 3.34Å; I285-L289 PolarHBondContact O-N 2.88Å; I285-Q290 PolarHBondContact O-N 2.88Å; I285-L291 HydrophobicContact CG2-CB 3.93Å; I285-L291 HydrophobicContact CG2-CD1 4.2Å; I285-T293 HydrophobicContact CD1-CG2 4.49Å; I285-T293 HydrophobicContact CG2-CG2 4.49Å; I285-T293 WeakPolarHBondContact CG2-OG1 3.43Å
286V96.6Very high96.3Very high65 Ų6554.3 Ų54.339%0.39428%0.279SS..Hα-helixtrans-67.9-43.5177.9173.50000111K282 N283 L284 Q290K282-V286 HydrophobicContact CG-CG2 4.35Å; K282-V286 WeakPolarHBondContact O-CG2 3.44Å; K282-V286 PolarHBondContact O-N 3.16Å; N283-V286 PolarHBondContact O-N 3.17Å; L284-V286 VanDerWaalsContact C-N 3.34Å; L284-V286 PolarHBondContact O-N 3.37Å; V286-Q290 VanDerWaalsContact O-CA 3.27Å; V286-Q290 WeakPolarHBondContact O-CA 3.42Å; V286-Q290 PolarHBondContact O-N 3.35Å; V286-Q290 VanDerWaalsContact O-N 3.16Å
287S95.8Very high96.3Very high73 Ų7357.9 Ų57.951%0.5130%0.301SS..Hα-helixtrans-71.2-45.3-178.266.40000112.7N283 L284N283-S287 WeakPolarHBondContact O-CB 3.38Å; N283-S287 PolarHBondContact O-N 2.95Å; N283-S287 PolarHBondContact O-OG 3.24Å; N283-S287 VanDerWaalsContact O-OG 3.06Å; L284-S287 PolarHBondContact O-N 3.28Å; L284-S287 PolarHBondContact O-OG 2.82Å
288E95.3Very high96.3Very high120 Ų12055.6 Ų55.656%0.56129%0.286SS*.Hα-helixtrans-88.7-31.8-171.7-62.6-57.3138.300113.8L284L284-E288 HydrophobicContact CD1-CG 3.69Å; L284-E288 VanDerWaalsContact O-CB 3.31Å; L284-E288 WeakPolarHBondContact O-CB 3.34Å; L284-E288 WeakPolarHBondContact O-CG 3.47Å; L284-E288 PolarHBondContact O-N 2.99Å
289L93.3Very high96.2Very high29 Ų2956.3 Ų56.315%0.15229%0.294CS..Hα-helixtrans-115.7-9.7-175.3-57.8179.7000113.9C246 L249 R250 I285 L291C246-L289 HydrophobicContact CB-CD1 4.38Å; C246-L289 HydrophobicContact CB-CD2 4.11Å; C246-L289 HydrophobicContact CB-CG 4.27Å; L249-L289 HydrophobicContact CB-CD1 3.65Å; L249-L289 HydrophobicContact CD1-CD1 3.9Å; L249-L289 HydrophobicContact CG-CD1 4.42Å; R250-L289 HydrophobicContact CB-CD2 4.3Å; I285-L289 HydrophobicContact CG2-CD1 4.46Å; I285-L289 WeakPolarHBondContact O-CA 3.5Å; I285-L289 WeakPolarHBondContact O-CB 3.34Å; I285-L289 PolarHBondContact O-N 2.88Å; L289-L291 HydrophobicContact CB-CD1 4.05Å; L289-L291 HydrophobicContact CB-CG 3.84Å; L289-L291 HydrophobicContact CD1-CD1 3.94Å; L289-L291 PolarHBondContact O-N 3.05Å; L289-L291 VanDerWaalsContact O-N 3.09Å
290Q92.9Very high96.1Very high172 Ų17258.6 Ų58.680%0.80430%0.304SS*.  trans54.228.1-178-56.8177.64.700113.3I285 V286I285-Q290 PolarHBondContact O-N 2.88Å; V286-Q290 VanDerWaalsContact O-CA 3.27Å; V286-Q290 WeakPolarHBondContact O-CA 3.42Å; V286-Q290 PolarHBondContact O-N 3.35Å; V286-Q290 VanDerWaalsContact O-N 3.16Å
291L92.2Very high96.1Very high31 Ų3159.3 Ų59.316%0.16231%0.312CS..  trans-83.7136.3177.8-63.8176.7000110.7R253 I285 L289 T293R253-L291 HydrophobicContact CG-CD1 4.46Å; R253-L291 HydrophobicContact CG-CD2 4.5Å; I285-L291 HydrophobicContact CG2-CB 3.93Å; I285-L291 HydrophobicContact CG2-CD1 4.2Å; L289-L291 HydrophobicContact CB-CD1 4.05Å; L289-L291 HydrophobicContact CB-CG 3.84Å; L289-L291 HydrophobicContact CD1-CD1 3.94Å; L289-L291 PolarHBondContact O-N 3.05Å; L289-L291 VanDerWaalsContact O-N 3.09Å; L291-T293 PolarHBondContact O-N 3.24Å; L291-T293 PolarHBondContact O-OG1 3.05Å
292D94.4Very high96.1Very high64 Ų6459.3 Ų59.334%0.34231%0.312SS..  trans-66104174.1-170.323.1000110.1R203 C204 R294R203-D292 WeakPolarHBondContact CA-O 3.3Å; R203-D292 WeakPolarHBondContact CB-O 3.32Å; R203-D292 HydrophobicContact CG-CB 4.1Å; R203-D292 IonicContact CZ-OD2 2.77Å; R203-D292 IonicContact NE-OD2 2.72Å; R203-D292 PolarHBondContact NE-OD2 3.42Å; R203-D292 IonicContact NH2-OD2 2.79Å; R203-D292 PolarHBondContact NH2-OD2 3.23Å; C204-D292 PolarHBondContact N-O 2.86Å; D292-R294 IonicContact OD1-CZ 3.63Å; D292-R294 IonicContact OD1-NH1 3.64Å; D292-R294 PolarHBondContact OD1-NH1 3.47Å; D292-R294 IonicContact OD1-NH2 3.05Å; D292-R294 PolarHBondContact OD1-NH2 3.31Å; D292-R294 IonicContact OD2-NH2 2.8Å; D292-R294 PolarHBondContact OD2-NH2 3.49Å
293T96.6Very high95.9Very high1 Ų159.3 Ų59.31%0.00631%0.31CS..EExtended strand (participates in β ladder)trans-115.4134.4-168.4-54.50000111.5C204 I206 K282 I285 L291C204-T293 HydrophobicContact CB-CG2 4.11Å; C204-T293 CarbonylContact O-C 3.54Å; C204-T293 VanDerWaalsContact O-CA 3.28Å; C204-T293 WeakPolarHBondContact O-CA 3.41Å; I206-T293 HydrophobicContact CD1-CG2 3.68Å; I206-T293 HydrophobicContact CG1-CG2 3.99Å; K282-T293 HydrophobicContact CB-CG2 4.37Å; K282-T293 HydrophobicContact CG-CG2 4.05Å; I285-T293 HydrophobicContact CD1-CG2 4.49Å; I285-T293 HydrophobicContact CG2-CG2 4.49Å; I285-T293 WeakPolarHBondContact CG2-OG1 3.43Å; L291-T293 PolarHBondContact O-N 3.24Å; L291-T293 PolarHBondContact O-OG1 3.05Å
294R97.3Very high95.7Very high103 Ų10356.6 Ų56.639%0.38930%0.303SS..EExtended strand (participates in β ladder)trans-126.1143.9179-65.4-67176.2-78.9-11.5110.9C204 F205 I206 D292C204-R294 PolarHBondContact O-N 2.92Å; F205-R294 WeakPolarHBondContact CA-O 3.48Å; F205-R294 HydrophobicContact CD1-CB 3.88Å; F205-R294 HydrophobicContact CE1-CB 3.69Å; F205-R294 HydrophobicContact CE1-CG 4.33Å; F205-R294 HydrophobicContact CZ-CB 4.17Å; F205-R294 HydrophobicContact CZ-CG 4.38Å; I206-R294 PolarHBondContact N-O 2.71Å; D292-R294 IonicContact OD1-CZ 3.63Å; D292-R294 IonicContact OD1-NH1 3.64Å; D292-R294 PolarHBondContact OD1-NH1 3.47Å; D292-R294 IonicContact OD1-NH2 3.05Å; D292-R294 PolarHBondContact OD1-NH2 3.31Å; D292-R294 IonicContact OD2-NH2 2.8Å; D292-R294 PolarHBondContact OD2-NH2 3.49Å
295I98Very high95.6Very high50 Ų5057.7 Ų57.726%0.25632%0.319SS..EExtended strand (participates in β ladder)trans-99139.8172.1-64166000107.9I206 C278 E279 K282 V297I206-I295 HydrophobicContact CB-CG1 4.27Å; I206-I295 HydrophobicContact CD1-CG1 4.4Å; I206-I295 CarbonylContact O-C 3.55Å; I206-I295 WeakPolarHBondContact O-CA 3.32Å; C278-I295 HydrophobicContact CB-CD1 3.79Å; C278-I295 HydrophobicContact CB-CG1 3.97Å; C278-I295 HydrophobicContact CB-CG2 3.73Å; E279-I295 HydrophobicContact CB-CD1 4.45Å; E279-I295 WeakPolarHBondContact OE2-CD1 3.49Å; K282-I295 HydrophobicContact CB-CD1 3.97Å; K282-I295 HydrophobicContact CB-CG1 4.21Å; K282-I295 HydrophobicContact CD-CD1 3.55Å; K282-I295 HydrophobicContact CD-CG1 3.9Å; K282-I295 HydrophobicContact CG-CD1 4.39Å; I295-V297 HydrophobicContact CG2-CG2 4.16Å
296T97.7Very high95.6Very high44 Ų4461 Ų6127%0.2734%0.342SS..EExtended strand (participates in β ladder)trans-133.6113.2168.7-60.20000108.6I194 I206 L207 E208 L298I194-T296 HydrophobicContact CD1-CG2 3.82Å; I206-T296 PolarHBondContact O-N 3.02Å; L207-T296 WeakPolarHBondContact CA-O 3.31Å; L207-T296 HydrophobicContact CD2-CG2 4.37Å; E208-T296 PolarHBondContact N-O 3.36Å; T296-L298 HydrophobicContact CG2-CD2 4.18Å
297V97.6Very high95.6Very high84 Ų8458.1 Ų58.151%0.50932%0.324SS..EExtended strand (participates in β ladder)trans-88.4109.4172.7-178.40000107.3E208 I295 G299E208-V297 HydrophobicContact CB-CB 4.27Å; E208-V297 HydrophobicContact CB-CG1 4.22Å; E208-V297 HydrophobicContact CB-CG2 3.99Å; I295-V297 HydrophobicContact CG2-CG2 4.16Å; V297-G299 VanDerWaalsContact C-N 3.3Å; V297-G299 PolarHBondContact O-N 3.4Å
298L96.6Very high95.7Very high16 Ų1655 Ų558%0.08430%0.302CS..  trans-64.9-39.6-178-62.5-175.6000110.8I187 A190 L207 E208 V209 T296 V301 Q302I187-L298 HydrophobicContact CB-CD1 4.26Å; I187-L298 HydrophobicContact CG1-CD1 4.04Å; I187-L298 HydrophobicContact CG2-CD1 4.09Å; A190-L298 HydrophobicContact CB-CD1 4.38Å; A190-L298 HydrophobicContact CB-CD2 3.54Å; L207-L298 HydrophobicContact CD2-CD2 4.44Å; E208-L298 PolarHBondContact O-N 3.47Å; V209-L298 HydrophobicContact CG2-CD1 4.44Å; T296-L298 HydrophobicContact CG2-CD2 4.18Å; L298-V301 HydrophobicContact CB-CG2 4.1Å; L298-V301 VanDerWaalsContact O-CG2 3.24Å; L298-V301 WeakPolarHBondContact O-CG2 3.48Å; L298-Q302 HydrophobicContact CB-CG 4.1Å; L298-Q302 HydrophobicContact CD1-CG 4.39Å
299G95.5Very high95.9Very high19 Ų1949.2 Ų49.220%0.19628%0.275CS..G310 helixtrans57.6-143178.800000112.5V297 V301 Q302V297-G299 VanDerWaalsContact C-N 3.3Å; V297-G299 PolarHBondContact O-N 3.4Å; G299-V301 PolarHBondContact O-N 3Å; G299-Q302 WeakPolarHBondContact O-CB 3.08Å; G299-Q302 WeakPolarHBondContact O-CG 3.32Å; G299-Q302 PolarHBondContact O-N 2.92Å; G299-Q302 PolarHBondContact O-NE2 2.85Å
300H95.3Very high96.1Very high132 Ų13249.5 Ų49.561%0.61128%0.276SS*.G310 helixtrans-70.7-5-167.3-68.884.1000115.4Q302 R303 G304H300-Q302 PolarHBondContact O-N 3.38Å; H300-Q302 VanDerWaalsContact O-N 3.11Å; H300-R303 PolarHBondContact NE2-NH2 3.43Å; H300-R303 PolarHBondContact O-N 3.49Å; H300-G304 PolarHBondContact O-N 3.24Å
301V96.4Very high96.3Very high82 Ų8241.3 Ų41.350%0.49724%0.237SC..G310 helixtrans-58.1-24168.9-53.90000111.6R186 L298 G299R186-V301 VanDerWaalsContact CG-O 3.27Å; R186-V301 WeakPolarHBondContact CG-O 3.48Å; L298-V301 HydrophobicContact CB-CG2 4.1Å; L298-V301 VanDerWaalsContact O-CG2 3.24Å; L298-V301 WeakPolarHBondContact O-CG2 3.48Å; G299-V301 PolarHBondContact O-N 3Å
302Q97.7Very high96.6Very high0 Ų040.2 Ų40.20%023%0.231CC..G310 helixtrans-72.1-24.9176.4-64.1169.490.600113.5Q30 I167 A183 I187 M210 L298 G299 H300Q30-Q302 PolarHBondContact NE2-O 3.43Å; I167-Q302 HydrophobicContact CD1-CB 4.31Å; A183-Q302 WeakPolarHBondContact CA-O 3.28Å; A183-Q302 WeakPolarHBondContact CB-O 3.36Å; I187-Q302 HydrophobicContact CG1-CG 3.91Å; M210-Q302 VanDerWaalsContact CG-NE2 3.25Å; M210-Q302 HydrophobicContact SD-CB 4.19Å; L298-Q302 HydrophobicContact CB-CG 4.1Å; L298-Q302 HydrophobicContact CD1-CG 4.39Å; G299-Q302 WeakPolarHBondContact O-CB 3.08Å; G299-Q302 WeakPolarHBondContact O-CG 3.32Å; G299-Q302 PolarHBondContact O-N 2.92Å; G299-Q302 PolarHBondContact O-NE2 2.85Å; H300-Q302 PolarHBondContact O-N 3.38Å; H300-Q302 VanDerWaalsContact O-N 3.11Å
303R94.9Very high96.7Very high55 Ų5537.6 Ų37.621%0.20822%0.217CC..THydrogen-bonded Turntrans-92.4-21.2174.5-72.3-157.6-111.3-98.25.2113.5D28 Q30 I167 H300D28-R303 WeakPolarHBondContact O-CD 3.48Å; Q30-R303 VanDerWaalsContact CD-C 3.48Å; Q30-R303 WeakPolarHBondContact CG-O 3.35Å; Q30-R303 PolarHBondContact NE2-O 3.21Å; Q30-R303 PolarHBondContact OE1-O 3.21Å; I167-R303 HydrophobicContact CD1-CG 3.69Å; I167-R303 HydrophobicContact CG1-CG 4.34Å; I167-R303 HydrophobicContact CG2-CG 4.35Å; H300-R303 PolarHBondContact NE2-NH2 3.43Å; H300-R303 PolarHBondContact O-N 3.49Å
304G92.8Very high96.7Very high30 Ų3037.6 Ų37.631%0.30922%0.217SC..  trans-89.6175.7-175.800000114.6Q30 H300Q30-G304 PolarHBondContact NE2-O 3.17Å; H300-G304 PolarHBondContact O-N 3.24Å
305G94.2Very high96.7Very high42 Ų4232.7 Ų32.743%0.43320%0.198SC..SBendtrans90.6174.1177.300000113.8Q30 G82Q30-G305 WeakPolarHBondContact CG-O 3.33Å; G82-G305 WeakPolarHBondContact CA-O 3.37Å
306S95.9Very high96.6Very high69 Ų6930.3 Ų30.348%0.48319%0.186SC..PPolyproline II helixtrans-70.9144.7176.3-70.80000110.9Q80Q80-S306 WeakPolarHBondContact O-CB 3.45Å; Q80-S306 PolarHBondContact O-OG 3.11Å
307P98Very high96.5Very high4 Ų428.7 Ų28.73%0.02618%0.175CC..PPolyproline II helixtrans-65.5146.7175.124.5-30.2000111.5Q30 L79 S182 D311 R312Q30-P307 HydrophobicContact CB-CB 3.91Å; L79-P307 WeakPolarHBondContact O-CG 3.36Å; S182-P307 WeakPolarHBondContact OG-CA 3.39Å; P307-D311 HydrophobicContact CB-CB 4.19Å; P307-R312 HydrophobicContact CB-CG 3.95Å; P307-R312 HydrophobicContact CG-CG 3.66Å; P307-R312 PolarHBondContact O-NE 3.12Å; P307-R312 PolarHBondContact O-NH2 3.02Å
308S98.3Very high96.4Very high7 Ų724.8 Ų24.85%0.04915%0.151CC..PPolyproline II helixtrans-59.4162.5167.7700000110.7D181 S182 F310 D311 R312D181-S308 WeakPolarHBondContact OD2-CB 3.47Å; D181-S308 PolarHBondContact OD2-OG 3.24Å; S182-S308 PolarHBondContact OG-N 3.24Å; S308-F310 PolarHBondContact O-N 2.79Å; S308-D311 PolarHBondContact O-N 3.4Å; S308-D311 PolarHBondContact OG-N 3.06Å; S308-D311 VanDerWaalsContact OG-N 3.16Å; S308-R312 VanDerWaalsContact O-CG 3.3Å; S308-R312 WeakPolarHBondContact O-CG 3.43Å; S308-R312 PolarHBondContact O-N 2.98Å; S308-R312 VanDerWaalsContact O-N 3.17Å
309A98.1Very high96.4Very high0 Ų024 Ų240%015%0.147CC..Hα-helixtrans-60-39.917600000111.5R312 I313 L555 N556 T559 A596A309-R312 PolarHBondContact O-N 3.07Å; A309-I313 WeakPolarHBondContact O-CD1 3.39Å; A309-I313 WeakPolarHBondContact O-CG1 3.37Å; A309-I313 PolarHBondContact O-N 2.57Å; A309-L555 HydrophobicContact CB-CD1 4.32Å; A309-L555 HydrophobicContact CB-CD2 3.94Å; A309-L555 HydrophobicContact CB-CG 3.56Å; A309-N556 PolarHBondContact N-OD1 3.11Å; A309-T559 HydrophobicContact CB-CG2 4.36Å; A309-T559 WeakPolarHBondContact CB-OG1 3.45Å; A309-A596 HydrophobicContact CB-CB 4.17Å
310F97.3Very high96.4Very high35 Ų3523.1 Ų23.115%0.15414%0.138CC..Hα-helixtrans-57.4-52176179.6-91000112M176 D181 S308 R312 I313 L314 L342M176-F310 HydrophobicContact CB-CE1 4.23Å; M176-F310 HydrophobicContact CB-CZ 4.28Å; M176-F310 HydrophobicContact CG-CE1 3.62Å; M176-F310 HydrophobicContact CG-CZ 4.13Å; D181-F310 HydrophobicContact CB-CD1 3.75Å; D181-F310 HydrophobicContact CB-CE1 4.43Å; D181-F310 HydrophobicContact CB-CG 4.48Å; S308-F310 PolarHBondContact O-N 2.79Å; F310-R312 VanDerWaalsContact C-N 3.27Å; F310-R312 PolarHBondContact O-N 3.2Å; F310-I313 PolarHBondContact O-N 2.9Å; F310-I313 VanDerWaalsContact O-N 3.14Å; F310-L314 HydrophobicContact CD1-CB 4.5Å; F310-L314 HydrophobicContact CE1-CB 4.19Å; F310-L314 HydrophobicContact CE1-CD2 3.71Å; F310-L314 HydrophobicContact CE1-CG 4.4Å; F310-L314 HydrophobicContact CZ-CD1 4.47Å; F310-L314 HydrophobicContact CZ-CD2 4.23Å; F310-L314 VanDerWaalsContact O-CB 3.28Å; F310-L314 WeakPolarHBondContact O-CB 3.36Å; F310-L314 PolarHBondContact O-N 3.25Å; F310-L342 HydrophobicContact CZ-CD2 3.95Å
311D98Very high96.4Very high0 Ų016.9 Ų16.90%011%0.109CC..Hα-helixtrans-66.5-27.8-178.8-82.8-41.9000113.3G179 S182 P307 S308 G315G179-D311 WeakPolarHBondContact CA-OD2 3.18Å; G179-D311 PolarHBondContact N-OD1 3.32Å; G179-D311 PolarHBondContact N-OD2 2.93Å; S182-D311 WeakPolarHBondContact CB-OD2 3.21Å; S182-D311 PolarHBondContact N-OD2 3.39Å; S182-D311 PolarHBondContact OG-OD2 3.43Å; P307-D311 HydrophobicContact CB-CB 4.19Å; S308-D311 PolarHBondContact O-N 3.4Å; S308-D311 PolarHBondContact OG-N 3.06Å; S308-D311 VanDerWaalsContact OG-N 3.16Å; D311-G315 PolarHBondContact O-N 3.37Å
312R98.3Very high96.4Very high7 Ų713 Ų133%0.0269%0.085CC..Hα-helixtrans-67.6-45.6172-66.4174.9-158.5-151.20.2111.7A34 L79 P307 S308 A309 F310 S316 T559 D563 A596A34-R312 WeakPolarHBondContact CB-O 3.35Å; L79-R312 HydrophobicContact CD1-CB 4.16Å; L79-R312 HydrophobicContact CD1-CG 4.4Å; L79-R312 HydrophobicContact CG-CB 4.47Å; L79-R312 HydrophobicContact CG-CG 4.39Å; P307-R312 HydrophobicContact CB-CG 3.95Å; P307-R312 HydrophobicContact CG-CG 3.66Å; P307-R312 PolarHBondContact O-NE 3.12Å; P307-R312 PolarHBondContact O-NH2 3.02Å; S308-R312 VanDerWaalsContact O-CG 3.3Å; S308-R312 WeakPolarHBondContact O-CG 3.43Å; S308-R312 PolarHBondContact O-N 2.98Å; S308-R312 VanDerWaalsContact O-N 3.17Å; A309-R312 PolarHBondContact O-N 3.07Å; F310-R312 VanDerWaalsContact C-N 3.27Å; F310-R312 PolarHBondContact O-N 3.2Å; R312-S316 WeakPolarHBondContact O-CB 3.49Å; R312-S316 PolarHBondContact O-N 3.49Å; R312-S316 PolarHBondContact O-OG 2.8Å; R312-T559 VanDerWaalsContact CZ-CG2 3.4Å; R312-T559 VanDerWaalsContact NH1-CG2 3.25Å; R312-D563 IonicContact CZ-OD2 2.81Å; R312-D563 VanDerWaalsContact NH1-CG 3.32Å; R312-D563 IonicContact NH1-OD1 3.7Å; R312-D563 PolarHBondContact NH1-OD1 2.97Å; R312-D563 IonicContact NH1-OD2 3.49Å; R312-D563 PolarHBondContact NH1-OD2 2.75Å; R312-D563 IonicContact NH2-OD2 3.73Å; R312-D563 PolarHBondContact NH2-OD2 2.71Å; R312-A596 HydrophobicContact CB-CB 4.39Å; R312-A596 WeakPolarHBondContact CD-O 3.33Å
313I97.2Very high96.3Very high9 Ų913 Ų135%0.0469%0.085CC..Hα-helixtrans-68.3-48.2179.3-69.7156000109.6A309 F310 G315 S316 R317 L555 M592 L595 A596A309-I313 WeakPolarHBondContact O-CD1 3.39Å; A309-I313 WeakPolarHBondContact O-CG1 3.37Å; A309-I313 PolarHBondContact O-N 2.57Å; F310-I313 PolarHBondContact O-N 2.9Å; F310-I313 VanDerWaalsContact O-N 3.14Å; I313-G315 PolarHBondContact O-N 2.95Å; I313-S316 WeakPolarHBondContact O-CA 3.32Å; I313-S316 WeakPolarHBondContact O-CB 3.33Å; I313-S316 PolarHBondContact O-N 2.93Å; I313-R317 HydrophobicContact CG2-CG 4.23Å; I313-R317 WeakPolarHBondContact O-CG 3.46Å; I313-R317 PolarHBondContact O-N 3.4Å; I313-L555 HydrophobicContact CD1-CD2 3.81Å; I313-M592 HydrophobicContact CD1-CB 4.33Å; I313-M592 HydrophobicContact CD1-CE 3.69Å; I313-M592 HydrophobicContact CG1-CE 4.31Å; I313-M592 HydrophobicContact CG2-CE 3.83Å; I313-L595 HydrophobicContact CG1-CD2 4.3Å; I313-L595 HydrophobicContact CG1-CG 4.34Å; I313-L595 HydrophobicContact CG2-CD2 4.04Å; I313-A596 HydrophobicContact CD1-CB 3.99Å; I313-A596 HydrophobicContact CG1-CB 3.93Å
314L96.3Very high96.2Very high2 Ų210.6 Ų10.61%0.018%0.077CC..Hα-helixtrans-56.5-51.9178.5-176.666.5000111I178 F310 S316 R317 M318 L342I178-L314 HydrophobicContact CG1-CD2 3.98Å; I178-L314 HydrophobicContact CG1-CG 4.18Å; F310-L314 HydrophobicContact CD1-CB 4.5Å; F310-L314 HydrophobicContact CE1-CB 4.19Å; F310-L314 HydrophobicContact CE1-CD2 3.71Å; F310-L314 HydrophobicContact CE1-CG 4.4Å; F310-L314 HydrophobicContact CZ-CD1 4.47Å; F310-L314 HydrophobicContact CZ-CD2 4.23Å; F310-L314 VanDerWaalsContact O-CB 3.28Å; F310-L314 WeakPolarHBondContact O-CB 3.36Å; F310-L314 PolarHBondContact O-N 3.25Å; L314-S316 VanDerWaalsContact C-N 3.26Å; L314-S316 PolarHBondContact O-N 3.05Å; L314-R317 PolarHBondContact O-N 3.01Å; L314-M318 HydrophobicContact CD1-CE 3.57Å; L314-M318 HydrophobicContact CD1-CG 4.16Å; L314-M318 HydrophobicContact CD1-SD 3.87Å; L314-M318 HydrophobicContact CD2-CE 4.37Å; L314-M318 HydrophobicContact CD2-SD 4.32Å; L314-M318 HydrophobicContact CG-CE 4.08Å; L314-M318 HydrophobicContact CG-CG 4.4Å; L314-M318 HydrophobicContact CG-SD 3.81Å; L314-M318 WeakPolarHBondContact O-CB 3.41Å; L314-M318 WeakPolarHBondContact O-CG 3.43Å; L314-M318 PolarHBondContact O-N 3.41Å; L314-L342 HydrophobicContact CD1-CB 4.44Å; L314-L342 HydrophobicContact CD1-CD1 4.06Å; L314-L342 HydrophobicContact CD1-CD2 4.18Å; L314-L342 HydrophobicContact CD1-CG 4.47Å
315G96.7Very high96.2Very high0 Ų09.3 Ų9.30%06%0.064CC..Hα-helixtrans-59-39.5176.200000112A35 D311 I313 G319A35-G315 WeakPolarHBondContact CA-O 3.32Å; D311-G315 PolarHBondContact O-N 3.37Å; I313-G315 PolarHBondContact O-N 2.95Å; G315-G319 PolarHBondContact O-N 2.84Å
316S96.8Very high96.1Very high0 Ų07.3 Ų7.30%04%0.043CC..Hα-helixtrans-66.3-44.2178.8-59.90000112.9A38 R312 I313 L314 A320A38-S316 WeakPolarHBondContact CB-O 3.24Å; R312-S316 WeakPolarHBondContact O-CB 3.49Å; R312-S316 PolarHBondContact O-N 3.49Å; R312-S316 PolarHBondContact O-OG 2.8Å; I313-S316 WeakPolarHBondContact O-CA 3.32Å; I313-S316 WeakPolarHBondContact O-CB 3.33Å; I313-S316 PolarHBondContact O-N 2.93Å; L314-S316 VanDerWaalsContact C-N 3.26Å; L314-S316 PolarHBondContact O-N 3.05Å; S316-A320 WeakPolarHBondContact O-CB 3.44Å; S316-A320 PolarHBondContact O-N 2.89Å; S316-A320 VanDerWaalsContact O-N 3.13Å
317R95.2Very high95.9Very high9 Ų94.1 Ų4.13%0.0342%0.02CC..Hα-helixtrans-64-52.9177-68.6170.970.8-166.35.3110.9I313 L314 G319 A320 E321 N345 L755 L758 E772I313-R317 HydrophobicContact CG2-CG 4.23Å; I313-R317 WeakPolarHBondContact O-CG 3.46Å; I313-R317 PolarHBondContact O-N 3.4Å; L314-R317 PolarHBondContact O-N 3.01Å; R317-G319 VanDerWaalsContact C-N 3.35Å; R317-G319 PolarHBondContact O-N 3.31Å; R317-A320 PolarHBondContact O-N 3.21Å; R317-E321 WeakPolarHBondContact O-CB 3.3Å; R317-E321 PolarHBondContact O-N 3.46Å; R317-N345 PolarHBondContact NH1-O 3.29Å; R317-N345 VanDerWaalsContact NH1-O 3.07Å; R317-N345 PolarHBondContact NH1-OD1 2.91Å; R317-N345 PolarHBondContact NH2-O 3.18Å; R317-L755 HydrophobicContact CG-CD2 3.99Å; R317-L758 HydrophobicContact CB-CD2 4.45Å; R317-L758 HydrophobicContact CG-CD2 3.88Å; R317-E772 IonicContact CZ-OE1 2.86Å; R317-E772 IonicContact CZ-OE2 3.55Å; R317-E772 IonicContact NE-OE1 3.37Å; R317-E772 PolarHBondContact NE-OE1 3.36Å; R317-E772 IonicContact NE-OE2 3.07Å; R317-E772 PolarHBondContact NE-OE2 3.49Å; R317-E772 IonicContact NH2-OE1 3.08Å; R317-E772 PolarHBondContact NH2-OE1 3.11Å; R317-E772 IonicContact NH2-OE2 3.69Å
318M95.7Very high95.5Very high3 Ų34.7 Ų4.72%0.0152%0.023CC..Hα-helixtrans-62.2-40.6-179.6-72.9-177.5162.900112.6L163 I178 L314 E321 A322 I340 L342L163-M318 HydrophobicContact CD1-CB 4.43Å; L163-M318 HydrophobicContact CD2-CB 3.87Å; I178-M318 HydrophobicContact CD1-SD 3.85Å; I178-M318 HydrophobicContact CG1-SD 3.87Å; L314-M318 HydrophobicContact CD1-CE 3.57Å; L314-M318 HydrophobicContact CD1-CG 4.16Å; L314-M318 HydrophobicContact CD1-SD 3.87Å; L314-M318 HydrophobicContact CD2-CE 4.37Å; L314-M318 HydrophobicContact CD2-SD 4.32Å; L314-M318 HydrophobicContact CG-CE 4.08Å; L314-M318 HydrophobicContact CG-CG 4.4Å; L314-M318 HydrophobicContact CG-SD 3.81Å; L314-M318 WeakPolarHBondContact O-CB 3.41Å; L314-M318 WeakPolarHBondContact O-CG 3.43Å; L314-M318 PolarHBondContact O-N 3.41Å; M318-E321 PolarHBondContact O-N 2.86Å; M318-A322 WeakPolarHBondContact O-CB 3.33Å; M318-A322 PolarHBondContact O-N 3.46Å; M318-I340 HydrophobicContact CB-CB 4.48Å; M318-I340 HydrophobicContact CB-CG2 4.18Å; M318-I340 HydrophobicContact CG-CB 4.49Å; M318-I340 HydrophobicContact CG-CG2 3.96Å; M318-L342 HydrophobicContact CE-CB 4.07Å
319G96.8Very high95Very high0 Ų04.8 Ų4.80%02%0.024CC..Hα-helixtrans-66.7-39.1178.600000113.3V39 G315 R317V39-G319 WeakPolarHBondContact CG2-O 3.23Å; G315-G319 PolarHBondContact O-N 2.84Å; R317-G319 VanDerWaalsContact C-N 3.35Å; R317-G319 PolarHBondContact O-N 3.31Å
320A95.4Very high94.4Very high0 Ų07.5 Ų7.50%04%0.039CC..Hα-helixtrans-64.8-47.4173.700000111.3M42 S316 R317 A322 V323 L324 L758M42-A320 HydrophobicContact CB-CB 4.32Å; M42-A320 HydrophobicContact CE-CB 3.7Å; M42-A320 HydrophobicContact CG-CB 4.27Å; S316-A320 WeakPolarHBondContact O-CB 3.44Å; S316-A320 PolarHBondContact O-N 2.89Å; S316-A320 VanDerWaalsContact O-N 3.13Å; R317-A320 PolarHBondContact O-N 3.21Å; A320-A322 VanDerWaalsContact C-N 3.29Å; A320-A322 PolarHBondContact O-N 3.2Å; A320-V323 WeakPolarHBondContact O-CB 3.46Å; A320-V323 PolarHBondContact O-N 3.4Å; A320-L324 PolarHBondContact O-N 3.36Å; A320-L758 HydrophobicContact CB-CD1 3.51Å
321E94.7Very high93.8Very high0 Ų012 Ų120%06%0.055CC..Hα-helixtrans-64.5-34.2180-169.755.6-142.700112.6R317 M318 V323 L324 A325 I340 R349 S771 S773R317-E321 WeakPolarHBondContact O-CB 3.3Å; R317-E321 PolarHBondContact O-N 3.46Å; M318-E321 PolarHBondContact O-N 2.86Å; E321-V323 VanDerWaalsContact C-N 3.28Å; E321-V323 PolarHBondContact O-N 2.7Å; E321-L324 PolarHBondContact O-N 2.97Å; E321-L324 VanDerWaalsContact O-N 3.14Å; E321-A325 WeakPolarHBondContact O-CB 3.48Å; E321-A325 PolarHBondContact O-N 3.33Å; E321-I340 HydrophobicContact CB-CG2 4.07Å; E321-I340 HydrophobicContact CG-CD1 4.06Å; E321-I340 HydrophobicContact CG-CG2 4.03Å; E321-R349 IonicContact OE1-CZ 2.72Å; E321-R349 IonicContact OE1-NE 3.19Å; E321-R349 PolarHBondContact OE1-NE 2.94Å; E321-R349 IonicContact OE1-NH2 3.35Å; E321-R349 PolarHBondContact OE1-NH2 2.96Å; E321-S771 PolarHBondContact OE1-OG 2.75Å; E321-S771 PolarHBondContact OE2-OG 3.4Å; E321-S773 WeakPolarHBondContact OE1-CB 3.38Å; E321-S773 PolarHBondContact OE1-OG 2.89Å
322A96.1Very high93.2Very high0 Ų014.9 Ų14.90%07%0.07CC..Hα-helixtrans-61.2-36.6176.600000112.8V116 V161 L163 M318 A320 L326 I340V116-A322 HydrophobicContact CG1-CB 4.24Å; V116-A322 HydrophobicContact CG2-CB 4.25Å; V161-A322 HydrophobicContact CB-CB 4.39Å; V161-A322 HydrophobicContact CG1-CB 3.71Å; L163-A322 HydrophobicContact CD1-CB 4.33Å; L163-A322 HydrophobicContact CD2-CB 4.01Å; L163-A322 HydrophobicContact CG-CB 4.33Å; M318-A322 WeakPolarHBondContact O-CB 3.33Å; M318-A322 PolarHBondContact O-N 3.46Å; A320-A322 VanDerWaalsContact C-N 3.29Å; A320-A322 PolarHBondContact O-N 3.2Å; A322-L326 WeakPolarHBondContact O-CG 3.44Å; A322-L326 PolarHBondContact O-N 3.1Å; A322-I340 HydrophobicContact CB-CG1 4.03Å
323V95.4Very high92.2Very high0 Ų018.8 Ų18.80%010%0.097CC..Hα-helixtrans-63.9-46.3174.6171.50000110.1I20 V39 M42 A320 E321 A325 L326 M327I20-V323 HydrophobicContact CD1-CG1 3.82Å; I20-V323 HydrophobicContact CD1-CG2 4.3Å; V39-V323 HydrophobicContact CB-CG2 4.36Å; V39-V323 HydrophobicContact CG1-CG2 4.01Å; V39-V323 WeakPolarHBondContact O-CG2 3.47Å; M42-V323 HydrophobicContact CB-CB 4.22Å; M42-V323 HydrophobicContact CB-CG1 4.47Å; M42-V323 HydrophobicContact CB-CG2 4.07Å; M42-V323 HydrophobicContact CG-CB 3.87Å; M42-V323 HydrophobicContact CG-CG1 3.96Å; M42-V323 HydrophobicContact CG-CG2 4.28Å; A320-V323 WeakPolarHBondContact O-CB 3.46Å; A320-V323 PolarHBondContact O-N 3.4Å; E321-V323 VanDerWaalsContact C-N 3.28Å; E321-V323 PolarHBondContact O-N 2.7Å; V323-A325 VanDerWaalsContact C-N 3.35Å; V323-A325 PolarHBondContact O-N 2.97Å; V323-L326 WeakPolarHBondContact O-CB 3.35Å; V323-L326 PolarHBondContact O-N 3.2Å; V323-M327 WeakPolarHBondContact O-CG 3.33Å; V323-M327 PolarHBondContact O-N 2.95Å
324L92.5Very high91.5Very high5 Ų525.2 Ų25.23%0.02613%0.131CC..Hα-helixtrans-64.7-41.1179.9-57.4-169000112.2V10 A320 E321 L326 M327 D328 Y769V10-L324 HydrophobicContact CB-CD2 4.32Å; V10-L324 HydrophobicContact CG1-CD2 4.2Å; V10-L324 HydrophobicContact CG2-CD1 4.2Å; V10-L324 HydrophobicContact CG2-CD2 3.76Å; A320-L324 PolarHBondContact O-N 3.36Å; E321-L324 PolarHBondContact O-N 2.97Å; E321-L324 VanDerWaalsContact O-N 3.14Å; L324-L326 VanDerWaalsContact C-N 3.31Å; L324-L326 PolarHBondContact O-N 3.4Å; L324-M327 PolarHBondContact O-N 3.39Å; L324-D328 PolarHBondContact O-N 3.44Å; L324-Y769 HydrophobicContact CD1-CD1 3.51Å; L324-Y769 HydrophobicContact CD1-CE1 3.41Å; L324-Y769 VanDerWaalsContact CD1-CE1 3.41Å
325A93Very high90.9Very high4 Ų426 Ų263%0.03314%0.135CC..Hα-helixtrans-61.3-38.6175.700000112.4V161 E321 V323 A329 I340V161-A325 HydrophobicContact CG1-CB 4.5Å; V161-A325 HydrophobicContact CG2-CB 3.78Å; E321-A325 WeakPolarHBondContact O-CB 3.48Å; E321-A325 PolarHBondContact O-N 3.33Å; V323-A325 VanDerWaalsContact C-N 3.35Å; V323-A325 PolarHBondContact O-N 2.97Å; A325-A329 VanDerWaalsContact O-CB 3.26Å; A325-A329 WeakPolarHBondContact O-CB 3.3Å; A325-A329 PolarHBondContact O-N 3.22Å; A325-I340 HydrophobicContact CB-CD1 3.95Å
326L93.4Very high90.4Very high0 Ų028.7 Ų28.70%015%0.153CC..Hα-helixtrans-64.4-44.7173.1-75.2168.8000111.8I20 N114 V116 N159 V161 A322 V323 L324 A329 D330I20-L326 HydrophobicContact CG2-CD1 3.98Å; N114-L326 HydrophobicContact CB-CB 4.27Å; N114-L326 HydrophobicContact CB-CD1 4.03Å; N114-L326 HydrophobicContact CB-CD2 4.05Å; N114-L326 HydrophobicContact CB-CG 4.35Å; V116-L326 HydrophobicContact CG2-CD1 3.37Å; N159-L326 HydrophobicContact CB-CD2 3.75Å; N159-L326 WeakPolarHBondContact O-CD2 3.5Å; V161-L326 HydrophobicContact CB-CD2 4.25Å; V161-L326 HydrophobicContact CB-CG 4.16Å; V161-L326 HydrophobicContact CG2-CD2 3.71Å; V161-L326 HydrophobicContact CG2-CG 3.66Å; A322-L326 WeakPolarHBondContact O-CG 3.44Å; A322-L326 PolarHBondContact O-N 3.1Å; V323-L326 WeakPolarHBondContact O-CB 3.35Å; V323-L326 PolarHBondContact O-N 3.2Å; L324-L326 VanDerWaalsContact C-N 3.31Å; L324-L326 PolarHBondContact O-N 3.4Å; L326-A329 PolarHBondContact O-N 2.9Å; L326-D330 PolarHBondContact O-N 3.04Å
327M91.4Very high90Very high2 Ų229 Ų291%0.0116%0.155CC..Hα-helixtrans-68-35.7-179.2-64.8-54.890.800113.1F15 E18 I20 C48 N114 V323 L324 R331F15-M327 HydrophobicContact CB-CG 4.36Å; F15-M327 HydrophobicContact CB-SD 3.66Å; F15-M327 HydrophobicContact CD1-CB 3.84Å; F15-M327 HydrophobicContact CD1-CG 3.84Å; F15-M327 HydrophobicContact CD1-SD 3.72Å; F15-M327 HydrophobicContact CD2-CB 4.36Å; F15-M327 HydrophobicContact CD2-CG 3.89Å; F15-M327 HydrophobicContact CD2-SD 4.31Å; F15-M327 HydrophobicContact CE1-CB 3.49Å; F15-M327 VanDerWaalsContact CE1-CB 3.49Å; F15-M327 HydrophobicContact CE1-CG 3.97Å; F15-M327 HydrophobicContact CE1-SD 4.39Å; F15-M327 HydrophobicContact CE2-CB 4.07Å; F15-M327 HydrophobicContact CE2-CG 4.03Å; F15-M327 HydrophobicContact CG-CB 4.24Å; F15-M327 HydrophobicContact CG-CG 3.77Å; F15-M327 HydrophobicContact CG-SD 3.65Å; F15-M327 HydrophobicContact CZ-CB 3.62Å; F15-M327 HydrophobicContact CZ-CG 4.08Å; E18-M327 HydrophobicContact CB-CE 4.35Å; E18-M327 HydrophobicContact CB-SD 4.12Å; E18-M327 HydrophobicContact CG-SD 4.17Å; I20-M327 HydrophobicContact CD1-CE 3.85Å; I20-M327 HydrophobicContact CG1-CE 3.97Å; C48-M327 VanDerWaalsContact SG-SD 3.66Å; N114-M327 HydrophobicContact CB-CE 4.45Å; V323-M327 WeakPolarHBondContact O-CG 3.33Å; V323-M327 PolarHBondContact O-N 2.95Å; L324-M327 PolarHBondContact O-N 3.39Å; M327-R331 PolarHBondContact O-N 2.92Å
328D89.5Confident90Very high16 Ų1628.9 Ų28.99%0.08616%0.155CC..Hα-helixtrans-67.4-42.6171.1-79-37.3000111.2K8 L324 D330 R331 D332 L335 R349K8-D328 IonicContact NZ-OD1 3.02Å; K8-D328 PolarHBondContact NZ-OD1 2.78Å; L324-D328 PolarHBondContact O-N 3.44Å; D328-D330 VanDerWaalsContact C-N 3.28Å; D328-D330 PolarHBondContact O-N 3.25Å; D328-R331 PolarHBondContact O-N 2.92Å; D328-D332 PolarHBondContact O-N 3.49Å; D328-L335 HydrophobicContact CB-CD1 4.5Å; D328-R349 IonicContact OD2-CZ 3.38Å; D328-R349 IonicContact OD2-NH1 2.87Å; D328-R349 PolarHBondContact OD2-NH1 3.38Å; D328-R349 IonicContact OD2-NH2 2.77Å; D328-R349 PolarHBondContact OD2-NH2 2.86Å
329A88.4Confident89.9Confident9 Ų928.8 Ų28.87%0.07416%0.155CC..Hα-helixtrans-61.7-38.4176.600000111.4R157 N159 A325 L326 R331 D332R157-A329 VanDerWaalsContact CZ-O 3.22Å; R157-A329 PolarHBondContact NH1-O 3.13Å; R157-A329 PolarHBondContact NH2-O 3.45Å; N159-A329 HydrophobicContact CB-CB 4.33Å; A325-A329 VanDerWaalsContact O-CB 3.26Å; A325-A329 WeakPolarHBondContact O-CB 3.3Å; A325-A329 PolarHBondContact O-N 3.22Å; L326-A329 PolarHBondContact O-N 2.9Å; A329-R331 VanDerWaalsContact C-N 3.34Å; A329-R331 PolarHBondContact O-N 3.32Å; A329-D332 CarbonylContact O-C 3.6Å; A329-D332 PolarHBondContact O-N 3.07Å
330D84.1Confident89.8Confident56 Ų5628.8 Ų28.830%0.29916%0.155SC..Hα-helixtrans-63.2-39.9177.7-162.361.1000112.4N159 L326 D328N159-D330 WeakPolarHBondContact ND2-CA 3.49Å; N159-D330 PolarHBondContact ND2-OD1 2.81Å; L326-D330 PolarHBondContact O-N 3.04Å; D328-D330 VanDerWaalsContact C-N 3.28Å; D328-D330 PolarHBondContact O-N 3.25Å
331R84.7Confident89.6Confident130 Ų13028.8 Ų28.849%0.49116%0.155SC..Hα-helixtrans-72.5-30.8176.3-71.2179.3175.4167.22.7114.3M327 D328 A329M327-R331 PolarHBondContact O-N 2.92Å; D328-R331 PolarHBondContact O-N 2.92Å; A329-R331 VanDerWaalsContact C-N 3.34Å; A329-R331 PolarHBondContact O-N 3.32Å
332D85.6Confident89.3Confident61 Ų6129 Ų2933%0.32616%0.156SC..  trans-117.9105.2180-174.4-5.3000112R157 D328 A329 N334 L335R157-D332 PolarHBondContact NH2-O 3.01Å; D328-D332 PolarHBondContact O-N 3.49Å; A329-D332 CarbonylContact O-C 3.6Å; A329-D332 PolarHBondContact O-N 3.07Å; D332-N334 PolarHBondContact O-N 3.48Å; D332-N334 VanDerWaalsContact O-N 3.1Å; D332-N334 WeakPolarHBondContact OD1-CB 3.39Å; D332-N334 PolarHBondContact OD1-N 2.9Å; D332-N334 PolarHBondContact OD1-ND2 3.19Å; D332-L335 HydrophobicContact CB-CB 4.34Å; D332-L335 HydrophobicContact CB-CD1 3.58Å; D332-L335 HydrophobicContact CB-CG 4.39Å; D332-L335 PolarHBondContact O-N 3.38Å
333P77.1Confident88.6Confident89 Ų8932 Ų3258%0.57817%0.172SC*.THydrogen-bonded Turntrans-49.7-32.5174-3037.8000115.5R157 L335R157-P333 VanDerWaalsContact NH1-CA 3.33Å; R157-P333 VanDerWaalsContact NH2-C 3.28Å; R157-P333 VanDerWaalsContact NH2-CA 3.28Å; R157-P333 PolarHBondContact NH2-O 3.34Å; P333-L335 VanDerWaalsContact C-N 3.35Å
334N83.9Confident87.9Confident143 Ų14332.2 Ų32.277%0.76517%0.174SC*.THydrogen-bonded Turntrans-85.4-10.7-171.9-57.1-54.8000113.2D332 P336D332-N334 PolarHBondContact O-N 3.48Å; D332-N334 VanDerWaalsContact O-N 3.1Å; D332-N334 WeakPolarHBondContact OD1-CB 3.39Å; D332-N334 PolarHBondContact OD1-N 2.9Å; D332-N334 PolarHBondContact OD1-ND2 3.19Å; N334-P336 WeakPolarHBondContact O-CD 3.22Å
335L83.6Confident87.2Confident19 Ų1932.5 Ų32.510%0.09918%0.176CC..PPolyproline II helixtrans-68.2122.5179.9-107.5144.4000110.3R131 D328 D332 P333 M775R131-L335 PolarHBondContact NH2-O 3.1Å; D328-L335 HydrophobicContact CB-CD1 4.5Å; D332-L335 HydrophobicContact CB-CB 4.34Å; D332-L335 HydrophobicContact CB-CD1 3.58Å; D332-L335 HydrophobicContact CB-CG 4.39Å; D332-L335 PolarHBondContact O-N 3.38Å; P333-L335 VanDerWaalsContact C-N 3.35Å; L335-M775 HydrophobicContact CD2-CE 3.66Å; L335-M775 HydrophobicContact CD2-SD 4.29Å
336P84.7Confident86.7Confident57 Ų5734.3 Ų34.337%0.3718%0.183SC..PPolyproline II helixtrans-70.7155.8176.930.1-34.8000110.4N334 C338 M775N334-P336 WeakPolarHBondContact O-CD 3.22Å; P336-C338 PolarHBondContact O-N 3.03Å; P336-M775 HydrophobicContact CG-CE 4.39Å
337S89.8Confident86.3Confident6 Ų634.4 Ų34.44%0.04218%0.184CC..PPolyproline II helixtrans-57.3136.7165.2-87.30000109.7R131 I160 L352R131-S337 WeakPolarHBondContact CD-OG 3.43Å; R131-S337 VanDerWaalsContact CZ-OG 3.25Å; R131-S337 PolarHBondContact NE-OG 3.44Å; R131-S337 VanDerWaalsContact NE-OG 3.1Å; R131-S337 PolarHBondContact NH1-OG 3.37Å; I160-S337 VanDerWaalsContact O-CB 3.32Å; I160-S337 WeakPolarHBondContact O-CB 3.46Å; I160-S337 PolarHBondContact O-OG 3.22Å; S337-L352 WeakPolarHBondContact O-CB 3.39Å; S337-L352 PolarHBondContact O-N 3.44Å
338C93.5Very high86.2Confident7 Ų734.6 Ų34.65%0.04719%0.186CC..EExtended strand (participates in β ladder)trans-120.2162.3179.863.40000111.1V161 G162 P336 R349 V350V161-C338 WeakPolarHBondContact CA-O 3.44Å; G162-C338 PolarHBondContact N-O 3.41Å; P336-C338 PolarHBondContact O-N 3.03Å; C338-R349 HydrophobicContact CB-CB 4.21Å; C338-V350 CarbonylContact C-O 3.54Å; C338-V350 WeakPolarHBondContact CA-O 2.93Å; C338-V350 WeakPolarHBondContact CB-O 3.45Å
339V94.7Very high86.3Confident0 Ų034.4 Ų34.40%018%0.184CC..EExtended strand (participates in β ladder)trans-106.2135161.9177.20000106.2L124 G162 V164 F171 S341 V350 L352L124-V339 HydrophobicContact CD1-CG1 4.44Å; L124-V339 HydrophobicContact CD1-CG2 4.15Å; G162-V339 CarbonylContact O-C 3.49Å; G162-V339 VanDerWaalsContact O-CA 3.26Å; G162-V339 WeakPolarHBondContact O-CA 3.47Å; V164-V339 HydrophobicContact CG2-CG1 3.64Å; F171-V339 HydrophobicContact CE1-CB 4.46Å; F171-V339 HydrophobicContact CE1-CG1 4.07Å; F171-V339 HydrophobicContact CE1-CG2 4.09Å; F171-V339 HydrophobicContact CZ-CG2 4.14Å; V339-S341 PolarHBondContact O-N 2.96Å; V339-V350 PolarHBondContact N-O 3.45Å; V339-V350 PolarHBondContact O-N 2.99Å; V339-L352 HydrophobicContact CG2-CB 4.06Å; V339-L352 HydrophobicContact CG2-CD1 3.33Å; V339-L352 HydrophobicContact CG2-CG 4.28Å
340I95.2Very high86.5Confident0 Ų034.2 Ų34.20%018%0.182CC..EExtended strand (participates in β ladder)trans-80.7118.4167.5-45.6-54000107.1V161 G162 L163 M318 E321 A322 A325 R349V161-I340 HydrophobicContact CG1-CD1 3.84Å; V161-I340 HydrophobicContact CG1-CG1 3.68Å; G162-I340 PolarHBondContact O-N 3.25Å; L163-I340 HydrophobicContact CD2-CB 3.54Å; L163-I340 HydrophobicContact CD2-CG1 3.63Å; M318-I340 HydrophobicContact CB-CB 4.48Å; M318-I340 HydrophobicContact CB-CG2 4.18Å; M318-I340 HydrophobicContact CG-CB 4.49Å; M318-I340 HydrophobicContact CG-CG2 3.96Å; E321-I340 HydrophobicContact CB-CG2 4.07Å; E321-I340 HydrophobicContact CG-CD1 4.06Å; E321-I340 HydrophobicContact CG-CG2 4.03Å; A322-I340 HydrophobicContact CB-CG1 4.03Å; A325-I340 HydrophobicContact CB-CD1 3.95Å; I340-R349 HydrophobicContact CD1-CG 3.82Å
341S91.5Very high86.8Confident0 Ų032.7 Ų32.70%018%0.175CC..EExtended strand (participates in β ladder)trans-120.3170.4-176.2-68.40000110.6G173 V339 A347 V348G173-S341 WeakPolarHBondContact O-CB 3.45Å; G173-S341 PolarHBondContact O-OG 2.95Å; V339-S341 PolarHBondContact O-N 2.96Å; S341-A347 WeakPolarHBondContact O-CA 3.5Å; S341-V348 PolarHBondContact N-O 2.7Å; S341-V348 PolarHBondContact O-N 3.42Å
342L87.3Confident87.1Confident4 Ų426.5 Ų26.52%0.02115%0.151CC..EExtended strand (participates in β ladder)trans-108.3130.5169.7-165.573.1000109.7T174 D175 M176 F310 L314 M318 G344 R780T174-L342 PolarHBondContact OG1-N 3.21Å; D175-L342 PolarHBondContact N-O 3.46Å; M176-L342 HydrophobicContact CB-CD2 4.09Å; F310-L342 HydrophobicContact CZ-CD2 3.95Å; L314-L342 HydrophobicContact CD1-CB 4.44Å; L314-L342 HydrophobicContact CD1-CD1 4.06Å; L314-L342 HydrophobicContact CD1-CD2 4.18Å; L314-L342 HydrophobicContact CD1-CG 4.47Å; M318-L342 HydrophobicContact CE-CB 4.07Å; L342-G344 WeakPolarHBondContact CD2-O 3.4Å; L342-G344 VanDerWaalsContact CG-O 3.26Å; L342-G344 WeakPolarHBondContact CG-O 3.21Å; L342-R780 PolarHBondContact O-NH2 3.42Å
343D82.1Confident87.2Confident63 Ų6326.6 Ų26.634%0.33715%0.154SC..EExtended strand (participates in β ladder)trans-123.4107.7169.6-169.319.4000108.5N345 Q346 V348D343-N345 PolarHBondContact O-N 3.21Å; D343-N345 VanDerWaalsContact O-N 3.13Å; D343-Q346 PolarHBondContact N-O 3.02Å; D343-Q346 PolarHBondContact O-N 2.94Å; D343-V348 HydrophobicContact CB-CG1 4.08Å; D343-V348 HydrophobicContact CB-CG2 3.83Å
344G79.1Confident87.7Confident5 Ų527.2 Ų27.25%0.05215%0.147CC..THydrogen-bonded Turntrans58.6-114.8-164.200000111.2D175 L342 W721D175-G344 PolarHBondContact OD2-N 3.01Å; L342-G344 WeakPolarHBondContact CD2-O 3.4Å; L342-G344 VanDerWaalsContact CG-O 3.26Å; L342-G344 WeakPolarHBondContact CG-O 3.21Å; G344-W721 VanDerWaalsContact C-CE2 3.44Å; G344-W721 WeakPolarHBondContact O-CH2 3.41Å; G344-W721 VanDerWaalsContact O-CZ2 3.3Å; G344-W721 WeakPolarHBondContact O-CZ2 3.44Å
345N78.8Confident88Confident12 Ų1220.4 Ų20.46%0.06411%0.111CC..THydrogen-bonded Turntrans-96.9-10.8172.1-150.12.6000114.4R317 D343 W721 W751R317-N345 PolarHBondContact NH1-O 3.29Å; R317-N345 VanDerWaalsContact NH1-O 3.07Å; R317-N345 PolarHBondContact NH1-OD1 2.91Å; R317-N345 PolarHBondContact NH2-O 3.18Å; D343-N345 PolarHBondContact O-N 3.21Å; D343-N345 VanDerWaalsContact O-N 3.13Å; N345-W721 VanDerWaalsContact CA-CZ3 3.5Å; N345-W721 HydrophobicContact CB-CD2 4.07Å; N345-W721 HydrophobicContact CB-CE3 3.21Å; N345-W721 HydrophobicContact CB-CH2 4.21Å; N345-W721 HydrophobicContact CB-CZ3 3.25Å; N345-W721 WeakPolarHBondContact OD1-CZ3 3.49Å; N345-W751 VanDerWaalsContact ND2-CH2 3.28Å; N345-W751 WeakPolarHBondContact ND2-CH2 3.4Å; N345-W751 WeakPolarHBondContact ND2-CZ2 3.48Å; N345-W751 VanDerWaalsContact ND2-CZ3 3.25Å; N345-W751 WeakPolarHBondContact ND2-CZ3 3.38Å
346Q81.6Confident88.2Confident41 Ų4119.7 Ų19.719%0.19211%0.107CC..EExtended strand (participates in β ladder)trans-91.3132.5-167.6-170.2169.41600110.2D343 V348 Y722 E772D343-Q346 PolarHBondContact N-O 3.02Å; D343-Q346 PolarHBondContact O-N 2.94Å; Q346-V348 HydrophobicContact CG-CG1 4.38Å; Q346-V348 PolarHBondContact O-N 3.27Å; Q346-Y722 HydrophobicContact CB-CE1 4.29Å; Q346-Y722 VanDerWaalsContact OE1-CE1 3.32Å; Q346-E772 PolarHBondContact NE2-O 3.21Å
347A85.5Confident88.4Confident2 Ų220.2 Ų20.22%0.01711%0.107CC..EExtended strand (participates in β ladder)trans-69.4128.9168.500000108.8S341 E772 S773S341-A347 WeakPolarHBondContact O-CA 3.5Å; A347-E772 HydrophobicContact CB-CB 4.37Å; A347-S773 WeakPolarHBondContact O-CA 3.23Å; A347-S773 VanDerWaalsContact O-CB 3.23Å; A347-S773 WeakPolarHBondContact O-CB 3.38Å
348V89.2Confident88.4Confident6 Ų622 Ų224%0.03611%0.113CC..EExtended strand (participates in β ladder)trans-131.3151.2-179.1-66.40000111.1S341 D343 Q346 V350 A776S341-V348 PolarHBondContact N-O 2.7Å; S341-V348 PolarHBondContact O-N 3.42Å; D343-V348 HydrophobicContact CB-CG1 4.08Å; D343-V348 HydrophobicContact CB-CG2 3.83Å; Q346-V348 HydrophobicContact CG-CG1 4.38Å; Q346-V348 PolarHBondContact O-N 3.27Å; V348-V350 HydrophobicContact CG2-CG2 3.87Å; V348-A776 HydrophobicContact CB-CB 4.02Å; V348-A776 HydrophobicContact CG1-CB 4.3Å; V348-A776 HydrophobicContact CG2-CB 4.4Å
349R92.8Very high88.2Confident13 Ų1322.5 Ų22.55%0.04912%0.116CC..EExtended strand (participates in β ladder)trans-95.9118.2173.7-63.4176.4-169.4-179.57.4108.8E321 D328 C338 I340 S773 I774 M775 A776E321-R349 IonicContact OE1-CZ 2.72Å; E321-R349 IonicContact OE1-NE 3.19Å; E321-R349 PolarHBondContact OE1-NE 2.94Å; E321-R349 IonicContact OE1-NH2 3.35Å; E321-R349 PolarHBondContact OE1-NH2 2.96Å; D328-R349 IonicContact OD2-CZ 3.38Å; D328-R349 IonicContact OD2-NH1 2.87Å; D328-R349 PolarHBondContact OD2-NH1 3.38Å; D328-R349 IonicContact OD2-NH2 2.77Å; D328-R349 PolarHBondContact OD2-NH2 2.86Å; C338-R349 HydrophobicContact CB-CB 4.21Å; I340-R349 HydrophobicContact CD1-CG 3.82Å; R349-S773 WeakPolarHBondContact CD-OG 3.28Å; R349-S773 WeakPolarHBondContact CG-OG 3.49Å; R349-S773 PolarHBondContact NE-OG 3.38Å; R349-I774 PolarHBondContact N-O 2.85Å; R349-I774 VanDerWaalsContact N-O 3.15Å; R349-M775 HydrophobicContact CB-CG 4.36Å; R349-M775 HydrophobicContact CB-SD 3.81Å; R349-A776 PolarHBondContact O-N 3.37Å
350V91.4Very high87.9Confident5 Ų528.6 Ų28.63%0.0314%0.139CC..EExtended strand (participates in β ladder)trans-117.8135.8-178.3-167.40000109.9C338 V339 V348 L352 C355 T778C338-V350 CarbonylContact C-O 3.54Å; C338-V350 WeakPolarHBondContact CA-O 2.93Å; C338-V350 WeakPolarHBondContact CB-O 3.45Å; V339-V350 PolarHBondContact N-O 3.45Å; V339-V350 PolarHBondContact O-N 2.99Å; V348-V350 HydrophobicContact CG2-CG2 3.87Å; V350-L352 PolarHBondContact O-N 2.86Å; V350-C355 WeakPolarHBondContact CG1-SG 3.44Å; V350-T778 HydrophobicContact CG1-CG2 3.34Å
351P91.9Very high87.9Confident24 Ų2432.6 Ų32.616%0.15616%0.158CC..EExtended strand (participates in β ladder)trans-58.1123.1-179.3-26.435000113.1V353 K354 C355P351-V353 VanDerWaalsContact C-N 3.34Å; P351-V353 PolarHBondContact O-N 2.98Å; P351-K354 HydrophobicContact CB-CB 4.4Å; P351-K354 HydrophobicContact CB-CD 4.28Å; P351-K354 HydrophobicContact CB-CG 4.16Å; P351-K354 HydrophobicContact CG-CD 4.37Å; P351-K354 PolarHBondContact O-N 2.66Å; P351-C355 PolarHBondContact O-N 2.81Å
352L89.7Confident87.9Confident0 Ų032.9 Ų32.90%016%0.159CC..Hα-helixtrans-56.1-46-174.6171.763.3000112.5L124 N128 S337 V339 V350 K354 C355 V356L124-L352 HydrophobicContact CB-CD1 3.92Å; N128-L352 HydrophobicContact CB-CD2 3.75Å; N128-L352 HydrophobicContact CB-CG 4.14Å; S337-L352 WeakPolarHBondContact O-CB 3.39Å; S337-L352 PolarHBondContact O-N 3.44Å; V339-L352 HydrophobicContact CG2-CB 4.06Å; V339-L352 HydrophobicContact CG2-CD1 3.33Å; V339-L352 HydrophobicContact CG2-CG 4.28Å; V350-L352 PolarHBondContact O-N 2.86Å; L352-K354 VanDerWaalsContact C-N 3.32Å; L352-K354 PolarHBondContact O-N 2.93Å; L352-C355 PolarHBondContact O-N 3.18Å; L352-V356 HydrophobicContact CD1-CG2 4.06Å; L352-V356 WeakPolarHBondContact O-CG2 3.28Å; L352-V356 PolarHBondContact O-N 2.64Å; L352-V356 VanDerWaalsContact O-N 3.07Å
353V88.1Confident88.1Confident62 Ų6235 Ų3538%0.37618%0.177SC..Hα-helixtrans-57.1-47.5-178.8179.90000110.8N128 P351 C355 V356 D357N128-V353 WeakPolarHBondContact OD1-CG2 3.45Å; P351-V353 VanDerWaalsContact C-N 3.34Å; P351-V353 PolarHBondContact O-N 2.98Å; V353-C355 PolarHBondContact O-N 3.23Å; V353-V356 PolarHBondContact O-N 2.81Å; V353-D357 VanDerWaalsContact O-CG 3.27Å; V353-D357 PolarHBondContact O-N 3.29Å
354K88.4Confident88.7Confident102 Ų10237.7 Ų37.744%0.44319%0.188SC..Hα-helixtrans-66.4-38.7-177.1-63.9-170.2174.8-170.30112.3P351 L352 D357 R358 T778P351-K354 HydrophobicContact CB-CB 4.4Å; P351-K354 HydrophobicContact CB-CD 4.28Å; P351-K354 HydrophobicContact CB-CG 4.16Å; P351-K354 HydrophobicContact CG-CD 4.37Å; P351-K354 PolarHBondContact O-N 2.66Å; L352-K354 VanDerWaalsContact C-N 3.32Å; L352-K354 PolarHBondContact O-N 2.93Å; K354-D357 PolarHBondContact O-N 3.46Å; K354-R358 WeakPolarHBondContact O-CB 3.37Å; K354-R358 PolarHBondContact O-N 3.31Å; K354-T778 HydrophobicContact CB-CG2 3.52Å; K354-T778 HydrophobicContact CD-CG2 3.99Å; K354-T778 VanDerWaalsContact CD-OG1 3.32Å; K354-T778 WeakPolarHBondContact CD-OG1 3.48Å; K354-T778 HydrophobicContact CG-CG2 4.43Å
355C88.8Confident89.5Confident1 Ų137.9 Ų37.91%0.00719%0.189CC..Hα-helixtrans-64.4-42.4176.1-630000111.9F171 C172 V350 P351 L352 V353 R358 T359F171-C355 HydrophobicContact CD1-CB 4.35Å; F171-C355 HydrophobicContact CE1-CB 3.39Å; F171-C355 HydrophobicContact CZ-CB 3.55Å; C172-C355 VanDerWaalsContact O-CB 3.3Å; C172-C355 WeakPolarHBondContact O-CB 3.35Å; V350-C355 WeakPolarHBondContact CG1-SG 3.44Å; P351-C355 PolarHBondContact O-N 2.81Å; L352-C355 PolarHBondContact O-N 3.18Å; V353-C355 PolarHBondContact O-N 3.23Å; C355-R358 PolarHBondContact O-N 3.46Å; C355-T359 WeakPolarHBondContact O-CB 3.47Å; C355-T359 PolarHBondContact O-N 3.11Å; C355-T359 PolarHBondContact O-OG1 3.45Å
356V87.5Confident90.2Very high3 Ų338.6 Ų38.62%0.01819%0.192CC..Hα-helixtrans-63.7-44.4176.9171.30000110.8T125 F171 L352 V353 T359 R360T125-V356 HydrophobicContact CG2-CG1 4.19Å; T125-V356 WeakPolarHBondContact OG1-CG1 3.26Å; F171-V356 HydrophobicContact CE2-CG2 4.35Å; F171-V356 HydrophobicContact CZ-CG2 4.37Å; L352-V356 HydrophobicContact CD1-CG2 4.06Å; L352-V356 WeakPolarHBondContact O-CG2 3.28Å; L352-V356 PolarHBondContact O-N 2.64Å; L352-V356 VanDerWaalsContact O-N 3.07Å; V353-V356 PolarHBondContact O-N 2.81Å; V356-T359 PolarHBondContact O-N 3.32Å; V356-R360 WeakPolarHBondContact O-CG 3.25Å; V356-R360 PolarHBondContact O-N 3.29Å
357D89.6Confident90.7Very high68 Ų6844.9 Ų44.936%0.36422%0.219SC..Hα-helixtrans-63.2-45.7178.8-69.1-22.6000111.6V353 K354 T359 R360 Q361V353-D357 VanDerWaalsContact O-CG 3.27Å; V353-D357 PolarHBondContact O-N 3.29Å; K354-D357 PolarHBondContact O-N 3.46Å; D357-T359 VanDerWaalsContact C-N 3.31Å; D357-T359 PolarHBondContact O-N 2.69Å; D357-R360 WeakPolarHBondContact O-CB 3.22Å; D357-R360 PolarHBondContact O-N 2.9Å; D357-R360 VanDerWaalsContact O-N 3.17Å; D357-Q361 WeakPolarHBondContact O-CG 3.12Å; D357-Q361 PolarHBondContact O-N 3.35Å
358R89.8Confident91.1Very high43 Ų4348.3 Ų48.316%0.16225%0.247CC..Hα-helixtrans-62.1-38.4176.2-167.6173.3173.7151.96.8112.1C172 K354 C355 R360 Q361 V362 E376 L377 T778C172-R358 HydrophobicContact CB-CB 3.85Å; C172-R358 HydrophobicContact CB-CG 3.72Å; K354-R358 WeakPolarHBondContact O-CB 3.37Å; K354-R358 PolarHBondContact O-N 3.31Å; C355-R358 PolarHBondContact O-N 3.46Å; R358-R360 VanDerWaalsContact C-N 3.34Å; R358-R360 PolarHBondContact O-N 3.04Å; R358-Q361 WeakPolarHBondContact O-CB 3.35Å; R358-Q361 PolarHBondContact O-N 2.9Å; R358-V362 PolarHBondContact O-N 3.5Å; R358-E376 PolarHBondContact NH2-O 2.77Å; R358-L377 HydrophobicContact CG-CD2 3.91Å; R358-L377 PolarHBondContact NE-O 3.14Å; R358-T778 PolarHBondContact NH1-O 2.97Å; R358-T778 VanDerWaalsContact NH1-O 3.08Å
359T89.2Confident91.4Very high18 Ų1850.4 Ų50.411%0.1126%0.261CS..Hα-helixtrans-65.7-37.3176.5-54.40000111.6D121 C172 C355 V356 D357 V362D121-T359 HydrophobicContact CB-CG2 4.35Å; C172-T359 PolarHBondContact N-OG1 2.96Å; C172-T359 VanDerWaalsContact N-OG1 3.09Å; C355-T359 WeakPolarHBondContact O-CB 3.47Å; C355-T359 PolarHBondContact O-N 3.11Å; C355-T359 PolarHBondContact O-OG1 3.45Å; V356-T359 PolarHBondContact O-N 3.32Å; D357-T359 VanDerWaalsContact C-N 3.31Å; D357-T359 PolarHBondContact O-N 2.69Å; T359-V362 PolarHBondContact O-N 3.37Å
360R89.7Confident91.5Very high128 Ų12853.3 Ų53.348%0.48328%0.278SS..Hα-helixtrans-66.1-40.6173.8-72.1172177.1179.4-3.5112.2V356 D357 R358 V362 A363 E364V356-R360 WeakPolarHBondContact O-CG 3.25Å; V356-R360 PolarHBondContact O-N 3.29Å; D357-R360 WeakPolarHBondContact O-CB 3.22Å; D357-R360 PolarHBondContact O-N 2.9Å; D357-R360 VanDerWaalsContact O-N 3.17Å; R358-R360 VanDerWaalsContact C-N 3.34Å; R358-R360 PolarHBondContact O-N 3.04Å; R360-V362 PolarHBondContact O-N 3.12Å; R360-A363 WeakPolarHBondContact O-CB 3.37Å; R360-A363 PolarHBondContact O-N 3.23Å; R360-E364 PolarHBondContact O-N 3.06Å
361Q93.2Very high91.7Very high85 Ų8554.4 Ų54.440%0.39728%0.282SS..Hα-helixtrans-59.2-34.7176.5-70.8168.51100112D357 R358 A363 E364 A365 L377D357-Q361 WeakPolarHBondContact O-CG 3.12Å; D357-Q361 PolarHBondContact O-N 3.35Å; R358-Q361 WeakPolarHBondContact O-CB 3.35Å; R358-Q361 PolarHBondContact O-N 2.9Å; Q361-A363 VanDerWaalsContact C-N 3.34Å; Q361-A363 PolarHBondContact O-N 2.57Å; Q361-E364 PolarHBondContact O-N 3.15Å; Q361-A365 WeakPolarHBondContact O-CB 3.48Å; Q361-A365 PolarHBondContact O-N 3.43Å; Q361-L377 HydrophobicContact CB-CD1 3.79Å; Q361-L377 HydrophobicContact CB-CD2 4.36Å
362V92.8Very high91.8Very high5 Ų559.9 Ų59.93%0.0331%0.31CS..Hα-helixtrans-59.5-47.3172.91770000110.6C172 R358 T359 R360 E364 A365 M366 L377C172-V362 VanDerWaalsContact SG-CG2 3.59Å; R358-V362 PolarHBondContact O-N 3.5Å; T359-V362 PolarHBondContact O-N 3.37Å; R360-V362 PolarHBondContact O-N 3.12Å; V362-E364 PolarHBondContact O-N 2.97Å; V362-A365 PolarHBondContact O-N 3.45Å; V362-M366 HydrophobicContact CG1-CG 4.22Å; V362-M366 WeakPolarHBondContact O-CB 3.49Å; V362-M366 WeakPolarHBondContact O-CG 3.46Å; V362-M366 PolarHBondContact O-N 3.31Å; V362-L377 HydrophobicContact CG2-CB 3.5Å; V362-L377 HydrophobicContact CG2-CD1 4.14Å; V362-L377 HydrophobicContact CG2-CG 4.47Å
363A91.7Very high92Very high48 Ų4863.3 Ų63.340%0.39733%0.326SS..Hα-helixtrans-64.2-32.2179.100000112.4R360 Q361 K367R360-A363 WeakPolarHBondContact O-CB 3.37Å; R360-A363 PolarHBondContact O-N 3.23Å; Q361-A363 VanDerWaalsContact C-N 3.34Å; Q361-A363 PolarHBondContact O-N 2.57Å; A363-K367 VanDerWaalsContact O-CG 3.25Å; A363-K367 WeakPolarHBondContact O-CG 3.42Å; A363-K367 PolarHBondContact O-N 2.89Å
364E94.8Very high92.3Very high121 Ų12160.3 Ų60.357%0.56531%0.308SS*.Hα-helixtrans-70.5-47.7174.7-68.8170.9177.200111.7R360 Q361 V362 M366 K367 A368R360-E364 PolarHBondContact O-N 3.06Å; Q361-E364 PolarHBondContact O-N 3.15Å; V362-E364 PolarHBondContact O-N 2.97Å; E364-M366 VanDerWaalsContact C-N 3.34Å; E364-M366 PolarHBondContact O-N 2.89Å; E364-K367 PolarHBondContact O-N 3.19Å; E364-K367 VanDerWaalsContact O-N 3.13Å; E364-A368 PolarHBondContact O-N 2.94Å
365A95.1Very high92.6Very high8 Ų856.3 Ų56.37%0.06629%0.292CS..Hα-helixtrans-58.6-45.4176.100000111.4Q361 V362 K367 A368 C369 D370 A374 L377Q361-A365 WeakPolarHBondContact O-CB 3.48Å; Q361-A365 PolarHBondContact O-N 3.43Å; V362-A365 PolarHBondContact O-N 3.45Å; A365-K367 VanDerWaalsContact C-N 3.32Å; A365-K367 PolarHBondContact O-N 3.4Å; A365-A368 CarbonylContact O-C 3.6Å; A365-A368 PolarHBondContact O-N 2.53Å; A365-C369 PolarHBondContact O-N 3.07Å; A365-C369 VanDerWaalsContact O-N 3.15Å; A365-D370 PolarHBondContact O-N 3.28Å; A365-A374 HydrophobicContact CB-CB 4.09Å; A365-L377 HydrophobicContact CB-CD1 4.31Å
366M93.6Very high92.8Very high28 Ų2861.5 Ų61.514%0.13832%0.316CS..Hα-helixtrans-60.2-37.9175.3-72.5-62-54.700112.8P233 I269 V362 E364 C369 F371 A374P233-M366 HydrophobicContact CB-CE 3.69Å; P233-M366 WeakPolarHBondContact O-CE 3.49Å; I269-M366 HydrophobicContact CD1-CE 3.73Å; V362-M366 HydrophobicContact CG1-CG 4.22Å; V362-M366 WeakPolarHBondContact O-CB 3.49Å; V362-M366 WeakPolarHBondContact O-CG 3.46Å; V362-M366 PolarHBondContact O-N 3.31Å; E364-M366 VanDerWaalsContact C-N 3.34Å; E364-M366 PolarHBondContact O-N 2.89Å; M366-C369 PolarHBondContact O-N 2.68Å; M366-F371 HydrophobicContact CE-CD1 4.19Å; M366-F371 HydrophobicContact CE-CE1 4.21Å; M366-F371 HydrophobicContact SD-CD1 4.07Å; M366-A374 HydrophobicContact CG-CB 4Å; M366-A374 HydrophobicContact SD-CB 3.66Å
367K92.4Very high93Very high173 Ų17361.8 Ų61.875%0.75232%0.318SS*.Hα-helixtrans-72.3-33.4175.9-77171.4-174.6174.90112.9A363 E364 A365 C369A363-K367 VanDerWaalsContact O-CG 3.25Å; A363-K367 WeakPolarHBondContact O-CG 3.42Å; A363-K367 PolarHBondContact O-N 2.89Å; E364-K367 PolarHBondContact O-N 3.19Å; E364-K367 VanDerWaalsContact O-N 3.13Å; A365-K367 VanDerWaalsContact C-N 3.32Å; A365-K367 PolarHBondContact O-N 3.4Å; K367-C369 PolarHBondContact O-N 2.54Å
368A94.5Very high93Very high74 Ų7460.1 Ų60.161%0.61231%0.306SS*.THydrogen-bonded Turntrans-74.2-2.4172.900000112.6E364 A365 D370E364-A368 PolarHBondContact O-N 2.94Å; A365-A368 CarbonylContact O-C 3.6Å; A365-A368 PolarHBondContact O-N 2.53Å; A368-D370 HydrophobicContact CB-CB 4.48Å; A368-D370 PolarHBondContact O-N 3.21Å
369C93.9Very high92.9Very high49 Ų4958.2 Ų58.233%0.33130%0.3SS..THydrogen-bonded Turntrans5433.4-171.3-49.70000111.5C273 A365 M366 K367 F371C273-C369 WeakPolarHBondContact CB-SG 3.46Å; C273-C369 WeakPolarHBondContact SG-CB 3.29Å; C273-C369 CovalentContact SG-SG 2.11Å; C273-C369 PolarHBondContact SG-SG 3.29Å; A365-C369 PolarHBondContact O-N 3.07Å; A365-C369 VanDerWaalsContact O-N 3.15Å; M366-C369 PolarHBondContact O-N 2.68Å; K367-C369 PolarHBondContact O-N 2.54Å; C369-F371 HydrophobicContact CB-CE1 4.16Å; C369-F371 HydrophobicContact CB-CE2 3.95Å; C369-F371 HydrophobicContact CB-CZ 3.49Å; C369-F371 VanDerWaalsContact CB-CZ 3.49Å; C369-F371 WeakPolarHBondContact O-CD2 3.16Å; C369-F371 WeakPolarHBondContact O-CE2 3.41Å; C369-F371 PolarHBondContact O-N 2.93Å
370D95.4Very high92.6Very high75 Ų7558.4 Ų58.440%0.40130%0.301SS..  trans-94.980.5171.6-175-2.4000109.8A365 A368 H373 A374A365-D370 PolarHBondContact O-N 3.28Å; A368-D370 HydrophobicContact CB-CB 4.48Å; A368-D370 PolarHBondContact O-N 3.21Å; D370-H373 WeakPolarHBondContact OD1-CB 3.39Å; D370-H373 PolarHBondContact OD1-N 2.76Å; D370-H373 WeakPolarHBondContact OD2-CB 3.42Å; D370-A374 PolarHBondContact O-N 3.19Å
371F95.3Very high92.3Very high27 Ų2754 Ų5412%0.11829%0.29CS..Hα-helixtrans-75-32.6-171-50.7-61.4000113.2P236 I269 R271 M366 C369 A374 V375P236-F371 HydrophobicContact CB-CE2 4.38Å; P236-F371 HydrophobicContact CB-CZ 4.4Å; P236-F371 HydrophobicContact CG-CD1 3.68Å; P236-F371 HydrophobicContact CG-CD2 3.93Å; P236-F371 HydrophobicContact CG-CE1 3.54Å; P236-F371 HydrophobicContact CG-CE2 3.79Å; P236-F371 HydrophobicContact CG-CG 3.88Å; P236-F371 HydrophobicContact CG-CZ 3.6Å; I269-F371 HydrophobicContact CD1-CE1 4.1Å; R271-F371 HydrophobicContact CG-CE2 4.44Å; M366-F371 HydrophobicContact CE-CD1 4.19Å; M366-F371 HydrophobicContact CE-CE1 4.21Å; M366-F371 HydrophobicContact SD-CD1 4.07Å; C369-F371 HydrophobicContact CB-CE1 4.16Å; C369-F371 HydrophobicContact CB-CE2 3.95Å; C369-F371 HydrophobicContact CB-CZ 3.49Å; C369-F371 VanDerWaalsContact CB-CZ 3.49Å; C369-F371 WeakPolarHBondContact O-CD2 3.16Å; C369-F371 WeakPolarHBondContact O-CE2 3.41Å; C369-F371 PolarHBondContact O-N 2.93Å; F371-A374 WeakPolarHBondContact O-CB 3.36Å; F371-A374 PolarHBondContact O-N 3.42Å; F371-V375 WeakPolarHBondContact O-CG2 3.27Å; F371-V375 PolarHBondContact O-N 2.71Å
372D94.4Very high92.2Very high140 Ų14050.2 Ų50.275%0.74927%0.272SS*.Hα-helixtrans-65.4-43.3179.7-69.3-28000110.4V375 E376D372-V375 PolarHBondContact O-N 3.2Å; D372-E376 PolarHBondContact O-N 2.83Å
373H94.7Very high92Very high71 Ų7153.3 Ų53.333%0.32929%0.287SS..Hα-helixtrans-67.6-36.5174.5-16951.2000112.2D370 V375 E376 L377D370-H373 WeakPolarHBondContact OD1-CB 3.39Å; D370-H373 PolarHBondContact OD1-N 2.76Å; D370-H373 WeakPolarHBondContact OD2-CB 3.42Å; H373-V375 VanDerWaalsContact C-N 3.31Å; H373-V375 PolarHBondContact O-N 3.14Å; H373-E376 IonicContact CE1-OE2 3.12Å; H373-E376 IonicContact ND1-OE2 2.67Å; H373-E376 PolarHBondContact ND1-OE2 3.22Å; H373-E376 VanDerWaalsContact ND1-OE2 3.12Å; H373-E376 PolarHBondContact O-N 3Å; H373-L377 WeakPolarHBondContact O-CB 3.32Å; H373-L377 VanDerWaalsContact O-CG 3.27Å; H373-L377 WeakPolarHBondContact O-CG 3.46Å; H373-L377 PolarHBondContact O-N 3.24Å
374A94.6Very high91.8Very high0 Ų054.4 Ų54.40%029%0.286CS..Hα-helixtrans-59.5-42.2173.700000112A365 M366 D370 F371 L377 R378A365-A374 HydrophobicContact CB-CB 4.09Å; M366-A374 HydrophobicContact CG-CB 4Å; M366-A374 HydrophobicContact SD-CB 3.66Å; D370-A374 PolarHBondContact O-N 3.19Å; F371-A374 WeakPolarHBondContact O-CB 3.36Å; F371-A374 PolarHBondContact O-N 3.42Å; A374-L377 PolarHBondContact O-N 2.87Å; A374-R378 WeakPolarHBondContact O-CG 3.38Å; A374-R378 PolarHBondContact O-N 2.81Å; A374-R378 VanDerWaalsContact O-N 3.09Å
375V94.3Very high91.6Very high18 Ų1848.6 Ų48.611%0.10926%0.259CS..Hα-helixtrans-63.1-43175.6166.30000111.8E234 F371 D372 H373 R378 G379 F382 M383 L386E234-V375 HydrophobicContact CB-CG2 3.81Å; E234-V375 WeakPolarHBondContact O-CG2 3.32Å; F371-V375 WeakPolarHBondContact O-CG2 3.27Å; F371-V375 PolarHBondContact O-N 2.71Å; D372-V375 PolarHBondContact O-N 3.2Å; H373-V375 VanDerWaalsContact C-N 3.31Å; H373-V375 PolarHBondContact O-N 3.14Å; V375-R378 WeakPolarHBondContact O-CB 3.22Å; V375-R378 PolarHBondContact O-N 2.86Å; V375-G379 PolarHBondContact O-N 3.1Å; V375-F382 HydrophobicContact CG1-CD1 4.45Å; V375-F382 HydrophobicContact CG2-CE1 4.34Å; V375-M383 HydrophobicContact CG1-CG 3.61Å; V375-M383 HydrophobicContact CG1-SD 4.4Å; V375-L386 HydrophobicContact CG1-CD2 4.18Å; V375-L386 HydrophobicContact CG2-CD2 4.01Å
376E92.9Very high91.5Very high109 Ų10949 Ų4951%0.50926%0.26SS..Hα-helixtrans-61.6-42.9175.2-175.3-173.5-169.100111.8R358 D372 H373 R378 G379R358-E376 PolarHBondContact NH2-O 2.77Å; D372-E376 PolarHBondContact O-N 2.83Å; H373-E376 IonicContact CE1-OE2 3.12Å; H373-E376 IonicContact ND1-OE2 2.67Å; H373-E376 PolarHBondContact ND1-OE2 3.22Å; H373-E376 VanDerWaalsContact ND1-OE2 3.12Å; H373-E376 PolarHBondContact O-N 3Å; E376-R378 VanDerWaalsContact C-N 3.33Å; E376-R378 PolarHBondContact O-N 2.95Å; E376-G379 WeakPolarHBondContact O-CA 3.32Å; E376-G379 PolarHBondContact O-N 3.46Å; E376-G379 VanDerWaalsContact O-N 3.09Å
377L91.4Very high91.3Very high10 Ų1049.9 Ų49.95%0.05227%0.272CS..Hα-helixtrans-65.7-33.6179.4-72.9171000112.8C172 R358 Q361 V362 A365 H373 A374 G379C172-L377 PolarHBondContact SG-O 3.25Å; C172-L377 VanDerWaalsContact SG-O 3.38Å; R358-L377 HydrophobicContact CG-CD2 3.91Å; R358-L377 PolarHBondContact NE-O 3.14Å; Q361-L377 HydrophobicContact CB-CD1 3.79Å; Q361-L377 HydrophobicContact CB-CD2 4.36Å; V362-L377 HydrophobicContact CG2-CB 3.5Å; V362-L377 HydrophobicContact CG2-CD1 4.14Å; V362-L377 HydrophobicContact CG2-CG 4.47Å; A365-L377 HydrophobicContact CB-CD1 4.31Å; H373-L377 WeakPolarHBondContact O-CB 3.32Å; H373-L377 VanDerWaalsContact O-CG 3.27Å; H373-L377 WeakPolarHBondContact O-CG 3.46Å; H373-L377 PolarHBondContact O-N 3.24Å; A374-L377 PolarHBondContact O-N 2.87Å; L377-G379 PolarHBondContact O-N 3.27Å
378R90.1Very high91Very high33 Ų3342.2 Ų42.213%0.12524%0.24CC..Hα-helixtrans-61.7-31.6171.8-69.1-69.2-168.7-153.4-1.8112.4D170 H213 C214 E234 A374 V375 E376 F382D170-R378 PolarHBondContact O-NH1 3.19Å; H213-R378 PolarHBondContact O-NH2 2.9Å; C214-R378 VanDerWaalsContact SG-CZ 3.57Å; E234-R378 HydrophobicContact CG-CG 4.4Å; E234-R378 IonicContact OE1-CZ 2.9Å; E234-R378 IonicContact OE1-NE 3.28Å; E234-R378 PolarHBondContact OE1-NE 2.96Å; E234-R378 IonicContact OE1-NH2 3.75Å; E234-R378 PolarHBondContact OE1-NH2 3.3Å; A374-R378 WeakPolarHBondContact O-CG 3.38Å; A374-R378 PolarHBondContact O-N 2.81Å; A374-R378 VanDerWaalsContact O-N 3.09Å; V375-R378 WeakPolarHBondContact O-CB 3.22Å; V375-R378 PolarHBondContact O-N 2.86Å; E376-R378 VanDerWaalsContact C-N 3.33Å; E376-R378 PolarHBondContact O-N 2.95Å; R378-F382 HydrophobicContact CB-CB 3.76Å; R378-F382 HydrophobicContact CB-CD1 4.27Å; R378-F382 HydrophobicContact CB-CD2 4.24Å; R378-F382 HydrophobicContact CB-CG 3.84Å; R378-F382 HydrophobicContact CG-CD2 4.34Å; R378-F382 HydrophobicContact CG-CG 4.27Å
379G86.7Confident90.9Very high3 Ų339.4 Ų39.43%0.03121%0.213CC..  trans100.4176.5172.600000115.1V375 E376 L377 S381 F382 M383V375-G379 PolarHBondContact O-N 3.1Å; E376-G379 WeakPolarHBondContact O-CA 3.32Å; E376-G379 PolarHBondContact O-N 3.46Å; E376-G379 VanDerWaalsContact O-N 3.09Å; L377-G379 PolarHBondContact O-N 3.27Å; G379-S381 VanDerWaalsContact C-N 3.34Å; G379-S381 PolarHBondContact O-N 2.66Å; G379-F382 PolarHBondContact O-N 3.01Å; G379-F382 VanDerWaalsContact O-N 3.11Å; G379-M383 PolarHBondContact O-N 3.07Å; G379-M383 VanDerWaalsContact O-N 3.15Å
380T82.9Confident90.7Very high22 Ų2240.3 Ų40.314%0.13521%0.214CC..Hα-helixtrans-60.5-37.6-165.5-42.20000114.1F382 M383 N384 T724T380-F382 PolarHBondContact O-N 2.86Å; T380-M383 PolarHBondContact O-N 2.83Å; T380-N384 WeakPolarHBondContact O-CB 3.29Å; T380-N384 VanDerWaalsContact O-CG 3.27Å; T380-N384 PolarHBondContact O-N 3.47Å; T380-N384 PolarHBondContact O-ND2 2.96Å; T380-T724 HydrophobicContact CG2-CG2 3.89Å
381S83.3Confident90.2Very high34 Ų3440.4 Ų40.424%0.23821%0.211CC..Hα-helixtrans-58.7-46.6176.41800000111.8G379 N384 N385G379-S381 VanDerWaalsContact C-N 3.34Å; G379-S381 PolarHBondContact O-N 2.66Å; S381-N384 PolarHBondContact O-N 3.36Å; S381-N385 VanDerWaalsContact O-CG 3.27Å; S381-N385 PolarHBondContact O-N 2.77Å; S381-N385 VanDerWaalsContact O-N 3.11Å; S381-N385 PolarHBondContact O-ND2 3.48Å
382F90.6Very high89.6Confident7 Ų740.3 Ų40.33%0.03121%0.212CC..Hα-helixtrans-64.8-46.9178.2-166.8-80000111.3Y216 L219 I232 E234 V375 R378 G379 T380 N384 N385 L386Y216-F382 HydrophobicContact CD2-CD2 4.05Å; L219-F382 HydrophobicContact CD2-CE1 4.19Å; L219-F382 HydrophobicContact CD2-CE2 4.3Å; L219-F382 HydrophobicContact CD2-CZ 4.05Å; I232-F382 HydrophobicContact CD1-CZ 4.26Å; E234-F382 HydrophobicContact CB-CE1 3.79Å; E234-F382 HydrophobicContact CB-CZ 3.79Å; E234-F382 HydrophobicContact CG-CE1 4.01Å; E234-F382 HydrophobicContact CG-CE2 4.47Å; E234-F382 HydrophobicContact CG-CZ 3.71Å; V375-F382 HydrophobicContact CG1-CD1 4.45Å; V375-F382 HydrophobicContact CG2-CE1 4.34Å; R378-F382 HydrophobicContact CB-CB 3.76Å; R378-F382 HydrophobicContact CB-CD1 4.27Å; R378-F382 HydrophobicContact CB-CD2 4.24Å; R378-F382 HydrophobicContact CB-CG 3.84Å; R378-F382 HydrophobicContact CG-CD2 4.34Å; R378-F382 HydrophobicContact CG-CG 4.27Å; G379-F382 PolarHBondContact O-N 3.01Å; G379-F382 VanDerWaalsContact O-N 3.11Å; T380-F382 PolarHBondContact O-N 2.86Å; F382-N384 VanDerWaalsContact C-N 3.32Å; F382-N384 PolarHBondContact O-N 2.89Å; F382-N385 PolarHBondContact O-N 3.39Å; F382-L386 HydrophobicContact CE1-CD2 4.42Å; F382-L386 WeakPolarHBondContact O-CB 3.22Å; F382-L386 PolarHBondContact O-N 3.23Å
383M90.4Very high88.9Confident69 Ų6935.1 Ų35.134%0.3419%0.187SC..Hα-helixtrans-57.1-44.9177.8-67.3-164.9-73.300112.2V375 G379 T380 N385 L386 A387V375-M383 HydrophobicContact CG1-CG 3.61Å; V375-M383 HydrophobicContact CG1-SD 4.4Å; G379-M383 PolarHBondContact O-N 3.07Å; G379-M383 VanDerWaalsContact O-N 3.15Å; T380-M383 PolarHBondContact O-N 2.83Å; M383-N385 PolarHBondContact O-N 3.25Å; M383-L386 PolarHBondContact O-N 3.49Å; M383-A387 WeakPolarHBondContact O-CB 3.04Å; M383-A387 PolarHBondContact O-N 3.18Å
384N86.6Confident87.8Confident71 Ų7137.7 Ų37.738%0.3820%0.197SC..Hα-helixtrans-64.6-41179-76.9-25.3000112.3T380 S381 F382 T388T380-N384 WeakPolarHBondContact O-CB 3.29Å; T380-N384 VanDerWaalsContact O-CG 3.27Å; T380-N384 PolarHBondContact O-N 3.47Å; T380-N384 PolarHBondContact O-ND2 2.96Å; S381-N384 PolarHBondContact O-N 3.36Å; F382-N384 VanDerWaalsContact C-N 3.32Å; F382-N384 PolarHBondContact O-N 2.89Å; N384-T388 WeakPolarHBondContact O-CB 3.35Å; N384-T388 PolarHBondContact O-N 3.45Å; N384-T388 PolarHBondContact O-OG1 2.99Å
385N90.4Very high86.3Confident0 Ų039.8 Ų39.80%021%0.208CC..Hα-helixtrans-61.4-46.8173.9-68.4-26.7000110.8L219 M223 S381 F382 M383 T388 Y389 K687L219-N385 HydrophobicContact CD2-CB 3.7Å; L219-N385 HydrophobicContact CG-CB 4.11Å; M223-N385 HydrophobicContact SD-CB 4.09Å; M223-N385 VanDerWaalsContact SD-O 3.36Å; S381-N385 VanDerWaalsContact O-CG 3.27Å; S381-N385 PolarHBondContact O-N 2.77Å; S381-N385 VanDerWaalsContact O-N 3.11Å; S381-N385 PolarHBondContact O-ND2 3.48Å; F382-N385 PolarHBondContact O-N 3.39Å; M383-N385 PolarHBondContact O-N 3.25Å; N385-T388 PolarHBondContact O-N 2.97Å; N385-Y389 PolarHBondContact O-N 2.87Å; N385-K687 WeakPolarHBondContact OD1-CE 3.32Å; N385-K687 PolarHBondContact OD1-NZ 3.02Å
386L92.8Very high84.5Confident16 Ų1645.2 Ų45.28%0.08423%0.231CC..Hα-helixtrans-63.4-46.9-178.1-173.860000111.5L219 I232 M235 V375 F382 M383 T388 Y389 I390L219-L386 HydrophobicContact CD1-CD1 4.17Å; L219-L386 HydrophobicContact CD2-CB 4.12Å; L219-L386 HydrophobicContact CD2-CD1 4.41Å; I232-L386 HydrophobicContact CD1-CD1 3.83Å; M235-L386 HydrophobicContact CB-CD1 4.27Å; M235-L386 HydrophobicContact CB-CD2 4.46Å; M235-L386 HydrophobicContact CE-CD1 4.25Å; M235-L386 HydrophobicContact SD-CD1 3.78Å; V375-L386 HydrophobicContact CG1-CD2 4.18Å; V375-L386 HydrophobicContact CG2-CD2 4.01Å; F382-L386 HydrophobicContact CE1-CD2 4.42Å; F382-L386 WeakPolarHBondContact O-CB 3.22Å; F382-L386 PolarHBondContact O-N 3.23Å; M383-L386 PolarHBondContact O-N 3.49Å; L386-T388 VanDerWaalsContact C-N 3.3Å; L386-T388 PolarHBondContact O-N 3.38Å; L386-Y389 PolarHBondContact O-N 3.47Å; L386-I390 HydrophobicContact CD1-CD1 4.28Å; L386-I390 HydrophobicContact CD1-CG1 4.5Å; L386-I390 HydrophobicContact CG-CD1 3.99Å; L386-I390 VanDerWaalsContact O-CG1 3.3Å; L386-I390 WeakPolarHBondContact O-CG1 3.28Å; L386-I390 PolarHBondContact O-N 3.1Å
387A89.9Confident82.6Confident47 Ų4747.1 Ų47.139%0.38824%0.241SC..Hα-helixtrans-59.7-41.4176.700000111.9M383 I390 K391M383-A387 WeakPolarHBondContact O-CB 3.04Å; M383-A387 PolarHBondContact O-N 3.18Å; A387-I390 PolarHBondContact O-N 2.87Å; A387-K391 WeakPolarHBondContact O-CG 3.13Å; A387-K391 PolarHBondContact O-N 2.91Å
388T87Confident80.3Confident12 Ų1249.4 Ų49.47%0.07426%0.256CS..Hα-helixtrans-65.6-45.7178-55.50000111.3M223 N384 N385 L386 I390 K391 L392 T686 K687M223-T388 HydrophobicContact CE-CG2 3.57Å; N384-T388 WeakPolarHBondContact O-CB 3.35Å; N384-T388 PolarHBondContact O-N 3.45Å; N384-T388 PolarHBondContact O-OG1 2.99Å; N385-T388 PolarHBondContact O-N 2.97Å; L386-T388 VanDerWaalsContact C-N 3.3Å; L386-T388 PolarHBondContact O-N 3.38Å; T388-I390 PolarHBondContact O-N 3.31Å; T388-K391 PolarHBondContact O-N 2.94Å; T388-L392 HydrophobicContact CG2-CD1 3.94Å; T388-L392 WeakPolarHBondContact O-CG 3.43Å; T388-L392 PolarHBondContact O-N 3.15Å; T388-L392 VanDerWaalsContact O-N 3.12Å; T388-T686 HydrophobicContact CG2-CG2 4.33Å; T388-K687 HydrophobicContact CG2-CG 4.39Å
389Y91.6Very high78.1Confident14 Ų1458.7 Ų58.76%0.05529%0.291CS..Hα-helixtrans-59.4-47.2175.4170.7-97.1000111.7L219 V230 M235 N385 L386 K391 L392 S393L219-Y389 HydrophobicContact CD1-CD1 4.26Å; L219-Y389 HydrophobicContact CD1-CG 3.9Å; V230-Y389 HydrophobicContact CB-CE2 4.27Å; V230-Y389 HydrophobicContact CG1-CD1 4.04Å; V230-Y389 HydrophobicContact CG1-CD2 4.44Å; V230-Y389 HydrophobicContact CG1-CE1 3.42Å; V230-Y389 VanDerWaalsContact CG1-CE1 3.42Å; V230-Y389 HydrophobicContact CG1-CE2 3.87Å; V230-Y389 PolarHBondContact N-OH 3.3Å; M235-Y389 HydrophobicContact CE-CE1 4.28Å; N385-Y389 PolarHBondContact O-N 2.87Å; L386-Y389 PolarHBondContact O-N 3.47Å; Y389-K391 VanDerWaalsContact C-N 3.33Å; Y389-K391 PolarHBondContact O-N 3.35Å; Y389-L392 PolarHBondContact O-N 3.25Å; Y389-S393 VanDerWaalsContact O-CB 3.29Å; Y389-S393 WeakPolarHBondContact O-CB 3.21Å; Y389-S393 PolarHBondContact O-N 3.06Å; Y389-S393 PolarHBondContact O-OG 3.35Å
390I89.6Confident75.9Confident69 Ų6965.1 Ų65.135%0.35432%0.32SS..Hα-helixtrans-59-45.6179.7-69167.5000110.4M235 L386 A387 T388 L392 S393M235-I390 HydrophobicContact SD-CD1 3.82Å; M235-I390 HydrophobicContact SD-CG1 4.05Å; L386-I390 HydrophobicContact CD1-CD1 4.28Å; L386-I390 HydrophobicContact CD1-CG1 4.5Å; L386-I390 HydrophobicContact CG-CD1 3.99Å; L386-I390 VanDerWaalsContact O-CG1 3.3Å; L386-I390 WeakPolarHBondContact O-CG1 3.28Å; L386-I390 PolarHBondContact O-N 3.1Å; A387-I390 PolarHBondContact O-N 2.87Å; T388-I390 PolarHBondContact O-N 3.31Å; I390-L392 VanDerWaalsContact C-N 3.34Å; I390-L392 PolarHBondContact O-N 2.95Å; I390-S393 PolarHBondContact O-N 3.16Å; I390-S393 PolarHBondContact O-OG 2.99Å
391K84.6Confident74.1Confident77 Ų7766.5 Ų66.534%0.33533%0.331SS..Hα-helixtrans-56.8-46.1176.8-75.5177.9-178.9-1790112.3A387 T388 Y389 L433 D694A387-K391 WeakPolarHBondContact O-CG 3.13Å; A387-K391 PolarHBondContact O-N 2.91Å; T388-K391 PolarHBondContact O-N 2.94Å; Y389-K391 VanDerWaalsContact C-N 3.33Å; Y389-K391 PolarHBondContact O-N 3.35Å; K391-L433 HydrophobicContact CB-CD2 4.13Å; K391-D694 IonicContact NZ-OD2 3.15Å; K391-D694 PolarHBondContact NZ-OD2 3.48Å
392L82.4Confident72.4Confident24 Ų2469.3 Ų69.313%0.12635%0.346CS..Hα-helixtrans-78.8-17.7-176.9-68.7167.1000114.2T388 Y389 I390 K394 L433 T686T388-L392 HydrophobicContact CG2-CD1 3.94Å; T388-L392 WeakPolarHBondContact O-CG 3.43Å; T388-L392 PolarHBondContact O-N 3.15Å; T388-L392 VanDerWaalsContact O-N 3.12Å; Y389-L392 PolarHBondContact O-N 3.25Å; I390-L392 VanDerWaalsContact C-N 3.34Å; I390-L392 PolarHBondContact O-N 2.95Å; L392-K394 VanDerWaalsContact C-N 3.31Å; L392-L433 HydrophobicContact CD2-CD1 3.74Å; L392-L433 HydrophobicContact CD2-CD2 3.83Å; L392-L433 HydrophobicContact CD2-CG 3.59Å; L392-L433 HydrophobicContact CG-CD1 4.44Å; L392-L433 HydrophobicContact CG-CD2 4.41Å; L392-T686 HydrophobicContact CD1-CG2 3.15Å
393S81Confident70.3Confident32 Ų3272.8 Ų72.822%0.22436%0.364CS..Hα-helixtrans-80.6-12-179.870.90000113.5K248 Y389 I390 I395K248-S393 WeakPolarHBondContact CE-O 3.27Å; K248-S393 PolarHBondContact NZ-O 2.72Å; Y389-S393 VanDerWaalsContact O-CB 3.29Å; Y389-S393 WeakPolarHBondContact O-CB 3.21Å; Y389-S393 PolarHBondContact O-N 3.06Å; Y389-S393 PolarHBondContact O-OG 3.35Å; I390-S393 PolarHBondContact O-N 3.16Å; I390-S393 PolarHBondContact O-OG 2.99Å; S393-I395 PolarHBondContact O-N 2.77Å
394K71.3Confident68.4Low124 Ų12469.5 Ų69.554%0.53935%0.347SS..  trans-67.4127.1174.7-65.5-179.2-179.3-177.10110.1L392L392-K394 VanDerWaalsContact C-N 3.31Å
395I62Low66.7Low45 Ų4568.5 Ų68.523%0.23135%0.346CS..  trans-97.9-34.9-177.3-52164000110.6K248 M251 S393 Q397K248-I395 HydrophobicContact CB-CD1 3.31Å; K248-I395 HydrophobicContact CD-CD1 3.54Å; K248-I395 HydrophobicContact CD-CG1 4.01Å; K248-I395 HydrophobicContact CG-CD1 3.2Å; K248-I395 HydrophobicContact CG-CG1 4.05Å; M251-I395 HydrophobicContact CB-CG2 4.1Å; S393-I395 PolarHBondContact O-N 2.77Å; I395-Q397 PolarHBondContact O-N 2.84Å
396E56.9Low64.9Low131 Ų13175.4 Ų75.461%0.61238%0.378SS*.SBendtrans-67.6129-179.1-67.2-171.9160.900109P398E396-P398 VanDerWaalsContact C-N 3.33Å; E396-P398 WeakPolarHBondContact O-CD 3.22Å
397Q53.4Low63.5Low150 Ų15078.7 Ų78.770%0.70140%0.396SS*.  trans-51.4107.2150.6-71.5-178.5-8.100105I395 R399 I435I395-Q397 PolarHBondContact O-N 2.84Å; Q397-R399 PolarHBondContact O-N 3.26Å; Q397-R399 VanDerWaalsContact O-N 3.15Å; Q397-I435 HydrophobicContact CG-CG2 4.44Å
398P44Very low62.9Low58 Ų5880.4 Ų80.438%0.37740%0.398SS..  trans-62.5132.3-178.230.9-31.6000105.6E396 Q400 T436E396-P398 VanDerWaalsContact C-N 3.33Å; E396-P398 WeakPolarHBondContact O-CD 3.22Å; P398-Q400 PolarHBondContact O-N 2.86Å; P398-T436 VanDerWaalsContact CD-CG2 3.48Å; P398-T436 WeakPolarHBondContact CD-O 3.3Å; P398-T436 HydrophobicContact CG-CG2 3.48Å; P398-T436 VanDerWaalsContact CG-CG2 3.48Å; P398-T436 WeakPolarHBondContact CG-O 3.5Å
399R42.5Very low63.1Low228 Ų22880.9 Ų80.986%0.8640%0.4SS*.SBendtrans-50.7111.9172.7-72.1174.3171.2153.4-1.5107.8Q397Q397-R399 PolarHBondContact O-N 3.26Å; Q397-R399 VanDerWaalsContact O-N 3.15Å
400Q41.2Very low63.2Low138 Ų13883.4 Ų83.465%0.64541%0.41SS*.  trans3495159.1-62.1178-35.100114.2P398 V402 S405P398-Q400 PolarHBondContact O-N 2.86Å; Q400-V402 PolarHBondContact O-N 2.75Å; Q400-S405 WeakPolarHBondContact CG-OG 3.39Å
401S45Very low63.5Low50 Ų5080.1 Ų80.135%0.3539%0.393SS..  trans-54.6105.2132.9154.80000105.2M403 S404 S405S401-M403 PolarHBondContact O-N 3.32Å; S401-S404 VanDerWaalsContact CB-OG 3.29Å; S401-S404 WeakPolarHBondContact CB-OG 3.25Å; S401-S404 PolarHBondContact O-N 3.32Å; S401-S404 VanDerWaalsContact O-N 3.11Å; S401-S404 PolarHBondContact O-OG 2.82Å; S401-S404 PolarHBondContact OG-N 2.93Å; S401-S404 PolarHBondContact OG-OG 2.85Å; S401-S405 PolarHBondContact O-N 3.08Å; S401-S405 PolarHBondContact O-OG 2.94Å; S401-S405 VanDerWaalsContact O-OG 3.07Å
402V46.7Very low64.1Low93 Ų9376.4 Ų76.456%0.56438%0.377SS*.Hα-helixtrans-50.8-32.1-171.1-1790000110.7Q400 E406Q400-V402 PolarHBondContact O-N 2.75Å; V402-E406 WeakPolarHBondContact O-CB 3.06Å; V402-E406 WeakPolarHBondContact O-CG 3.4Å
403M46.8Very low64.8Low81 Ų8175.3 Ų75.340%0.39937%0.371SS..Hα-helixtrans-81.6-38.7180-72.6-176.460.600115.8S401 N407 I704S401-M403 PolarHBondContact O-N 3.32Å; M403-N407 WeakPolarHBondContact O-CB 3.45Å; M403-N407 PolarHBondContact O-N 3.32Å; M403-N407 PolarHBondContact O-ND2 2.87Å; M403-I704 HydrophobicContact CE-CB 4.29Å; M403-I704 HydrophobicContact CE-CD1 4.08Å; M403-I704 HydrophobicContact CE-CG2 3.88Å
404S50.5Low65.6Low0 Ų073.8 Ų73.80%036%0.36CS..Hα-helixtrans-78.3-37.8-173.562.10000112.3S401 N407 N408 K437S401-S404 VanDerWaalsContact CB-OG 3.29Å; S401-S404 WeakPolarHBondContact CB-OG 3.25Å; S401-S404 PolarHBondContact O-N 3.32Å; S401-S404 VanDerWaalsContact O-N 3.11Å; S401-S404 PolarHBondContact O-OG 2.82Å; S401-S404 PolarHBondContact OG-N 2.93Å; S401-S404 PolarHBondContact OG-OG 2.85Å; S404-N407 PolarHBondContact O-N 3.03Å; S404-N408 PolarHBondContact O-N 3.09Å; S404-K437 PolarHBondContact OG-O 2.92Å
405S50.5Low66.9Low50 Ų5067.9 Ų67.935%0.3534%0.335SS..Hα-helixtrans-70.1-29.917749.70000113.4Q400 S401Q400-S405 WeakPolarHBondContact CG-OG 3.39Å; S401-S405 PolarHBondContact O-N 3.08Å; S401-S405 PolarHBondContact O-OG 2.94Å; S401-S405 VanDerWaalsContact O-OG 3.07Å
406E54.1Low68.6Low144 Ų14465.8 Ų65.867%0.67332%0.324SS*.Hα-helixtrans-74.4-31.9176-74.9-178.4175.900112V402V402-E406 WeakPolarHBondContact O-CB 3.06Å; V402-E406 WeakPolarHBondContact O-CG 3.4Å
407N62.4Low70.5Confident85 Ų8559.7 Ų59.746%0.45530%0.297SS..Hα-helixtrans-94.6-6.4-175.1-73.6-26000115.2M403 S404 L409M403-N407 WeakPolarHBondContact O-CB 3.45Å; M403-N407 PolarHBondContact O-N 3.32Å; M403-N407 PolarHBondContact O-ND2 2.87Å; S404-N407 PolarHBondContact O-N 3.03Å; N407-L409 HydrophobicContact CB-CD1 4.23Å; N407-L409 HydrophobicContact CB-CD2 3.87Å; N407-L409 HydrophobicContact CB-CG 3.74Å; N407-L409 PolarHBondContact O-N 2.94Å
408N78.6Confident72.5Confident83 Ų8353.9 Ų53.944%0.44427%0.274SS..THydrogen-bonded Turntrans52.141.8176.9-162.821.3000112.3S404 K440S404-N408 PolarHBondContact O-N 3.09Å; N408-K440 WeakPolarHBondContact OD1-CD 3.45Å; N408-K440 VanDerWaalsContact OD1-CE 3.24Å; N408-K440 WeakPolarHBondContact OD1-CE 3.38Å; N408-K440 PolarHBondContact OD1-NZ 3.4Å
409L90.2Very high75Confident22 Ų2253 Ų5312%0.11527%0.268CS..  trans-68.3144.3-173.8-61.4173.2000111.4N407 Y439 K440 S500 I700 I704N407-L409 HydrophobicContact CB-CD1 4.23Å; N407-L409 HydrophobicContact CB-CD2 3.87Å; N407-L409 HydrophobicContact CB-CG 3.74Å; N407-L409 PolarHBondContact O-N 2.94Å; L409-Y439 HydrophobicContact CB-CD1 3.78Å; L409-Y439 HydrophobicContact CB-CE1 3.91Å; L409-Y439 HydrophobicContact CD1-CE1 4Å; L409-K440 PolarHBondContact O-N 2.71Å; L409-S500 WeakPolarHBondContact CD2-OG 3.3Å; L409-I700 HydrophobicContact CD1-CG2 3.88Å; L409-I704 HydrophobicContact CD1-CD1 3.66Å; L409-I704 HydrophobicContact CD1-CG1 4.44Å
410R94.3Very high77.5Confident67 Ų6742.2 Ų42.225%0.25323%0.228SC..EExtended strand (participates in β ladder)trans-122.4133.9-173.8-62.8172-179.1-164.7-5.1110.9K440 I442 L497 L499 S500 G501R410-K440 CarbonylContact C-O 3.54Å; R410-K440 VanDerWaalsContact CA-O 3.26Å; R410-K440 WeakPolarHBondContact CA-O 3.38Å; R410-K440 HydrophobicContact CG-CB 4.07Å; R410-I442 HydrophobicContact CB-CG1 4.19Å; R410-L497 WeakPolarHBondContact CD-O 3.21Å; R410-L497 PolarHBondContact NH1-O 2.98Å; R410-L499 HydrophobicContact CB-CD2 4.5Å; R410-S500 WeakPolarHBondContact O-CB 2.95Å; R410-S500 PolarHBondContact O-N 3.47Å; R410-G501 PolarHBondContact O-N 3.47Å
411I95.3Very high80.2Confident0 Ų035.7 Ų35.70%020%0.198CC..EExtended strand (participates in β ladder)trans-116.8124.7175-57.2177.9000108.8F430 Y439 K440 V441 I442 G501 I693 L696 I700I411-F430 HydrophobicContact CG2-CE1 3.81Å; I411-F430 HydrophobicContact CG2-CZ 3.73Å; I411-Y439 HydrophobicContact CD1-CD1 3.64Å; I411-Y439 HydrophobicContact CD1-CD2 3.77Å; I411-Y439 HydrophobicContact CD1-CE1 4.01Å; I411-Y439 HydrophobicContact CD1-CE2 4.13Å; I411-Y439 HydrophobicContact CD1-CG 3.51Å; I411-Y439 HydrophobicContact CG1-CD1 3.86Å; I411-Y439 HydrophobicContact CG1-CE1 4.44Å; I411-Y439 HydrophobicContact CG1-CG 4.03Å; I411-K440 PolarHBondContact N-O 3.19Å; I411-V441 WeakPolarHBondContact O-CA 3.29Å; I411-I442 PolarHBondContact O-N 3.46Å; I411-G501 WeakPolarHBondContact CA-O 3.37Å; I411-I693 HydrophobicContact CD1-CD1 3.85Å; I411-L696 HydrophobicContact CG2-CD1 4.17Å; I411-I700 HydrophobicContact CD1-CD1 3.81Å; I411-I700 HydrophobicContact CG1-CD1 4.03Å
412G97.3Very high82.6Confident0 Ų033.3 Ų33.30%018%0.181CC..EExtended strand (participates in β ladder)trans-80.9146.9175.900000111.6I442 G501 L502 L503G412-I442 CarbonylContact C-O 3.56Å; G412-I442 WeakPolarHBondContact CA-O 3.37Å; G412-G501 PolarHBondContact N-O 3.5Å; G412-L502 CarbonylContact O-C 3.58Å; G412-L502 WeakPolarHBondContact O-CA 3.26Å; G412-L503 PolarHBondContact O-N 2.94Å
413I97.6Very high85Confident0 Ų029 Ų290%016%0.155CC..EExtended strand (participates in β ladder)trans-131130.8170-171.4165.5000109.7I427 F430 V441 I442 I444 I459 L475 L503 I505I413-I427 HydrophobicContact CD1-CB 4.02Å; I413-I427 HydrophobicContact CD1-CG1 3.67Å; I413-I427 HydrophobicContact CD1-CG2 4.05Å; I413-I427 HydrophobicContact CG1-CG1 4.38Å; I413-F430 HydrophobicContact CD1-CB 4.48Å; I413-F430 HydrophobicContact CD1-CD1 4.07Å; I413-F430 HydrophobicContact CD1-CG 4.48Å; I413-V441 HydrophobicContact CG2-CG1 4.09Å; I413-I442 PolarHBondContact N-O 2.82Å; I413-I444 WeakPolarHBondContact O-CB 3.42Å; I413-I444 PolarHBondContact O-N 2.8Å; I413-I459 HydrophobicContact CG2-CD1 3.85Å; I413-L475 HydrophobicContact CG2-CD1 3.93Å; I413-L503 WeakPolarHBondContact CA-O 3.42Å; I413-L503 HydrophobicContact CD1-CD2 3.9Å; I413-L503 HydrophobicContact CG1-CB 4.3Å; I413-L503 HydrophobicContact CG1-CD2 4.26Å; I413-I505 HydrophobicContact CD1-CD1 3.84Å; I413-I505 HydrophobicContact CG1-CD1 4.03Å
414V97.9Very high87.4Confident0 Ų025.1 Ų25.10%014%0.136CC..EExtended strand (participates in β ladder)trans-140.6140.7-176.464.90000111.1V416 I444 F448 L502 L503 I504 I505V414-V416 HydrophobicContact CG2-CG2 4.25Å; V414-I444 HydrophobicContact CB-CB 3.89Å; V414-I444 HydrophobicContact CB-CD1 4.11Å; V414-I444 HydrophobicContact CB-CG2 4.21Å; V414-I444 HydrophobicContact CG2-CB 3.97Å; V414-I444 HydrophobicContact CG2-CG2 3.75Å; V414-F448 HydrophobicContact CG1-CE2 4.47Å; V414-F448 HydrophobicContact CG1-CZ 4.09Å; V414-L502 HydrophobicContact CG1-CD1 4.17Å; V414-L503 PolarHBondContact N-O 3.39Å; V414-I504 HydrophobicContact CG1-CB 4.26Å; V414-I504 HydrophobicContact CG1-CG1 3.99Å; V414-I504 HydrophobicContact CG1-CG2 4.12Å; V414-I504 CarbonylContact O-C 3.45Å; V414-I504 WeakPolarHBondContact O-CA 3.26Å; V414-I505 PolarHBondContact O-N 2.87Å
415N98Very high89.6Confident0 Ų025.1 Ų25.10%014%0.136CC..EExtended strand (participates in β ladder)trans-101.8137.6171.6-57.4-36.2000110.8I423 G447 S473 G476 I505N415-I423 WeakPolarHBondContact OD1-CG2 3.43Å; N415-G447 WeakPolarHBondContact O-CA 3.35Å; N415-S473 PolarHBondContact ND2-OG 3.21Å; N415-G476 WeakPolarHBondContact CB-O 3.3Å; N415-I505 CarbonylContact C-O 3.52Å; N415-I505 VanDerWaalsContact CA-O 3.23Å; N415-I505 WeakPolarHBondContact CA-O 3.23Å
416V97.6Very high91.7Very high1 Ų122.8 Ų22.81%0.00612%0.119CC..EExtended strand (participates in β ladder)trans-136.4134.3-179.1-177.50000110.7V414 F448 T477 R478 I504 I505 G506 G507 E509 A510V414-V416 HydrophobicContact CG2-CG2 4.25Å; V416-F448 HydrophobicContact CG2-CD2 3.95Å; V416-F448 HydrophobicContact CG2-CE2 3.74Å; V416-T477 PolarHBondContact N-OG1 2.98Å; V416-R478 CarbonylContact C-O 3.12Å; V416-R478 WeakPolarHBondContact CA-O 3.45Å; V416-I504 HydrophobicContact CB-CG2 4.45Å; V416-I504 HydrophobicContact CG2-CG2 3.99Å; V416-I505 PolarHBondContact N-O 2.91Å; V416-G506 WeakPolarHBondContact O-CA 3.26Å; V416-G507 PolarHBondContact O-N 3.45Å; V416-E509 HydrophobicContact CG1-CB 3.82Å; V416-A510 HydrophobicContact CB-CB 3.91Å; V416-A510 HydrophobicContact CG1-CB 4.37Å
417G96.5Very high93.7Very high4 Ų415.9 Ų15.94%0.0419%0.087CC..SBendtrans101.7-156.5-179.500000113.5T477 R478G417-T477 PolarHBondContact N-OG1 3.43Å; G417-T477 VanDerWaalsContact O-CG2 3.26Å; G417-T477 WeakPolarHBondContact O-CG2 3.2Å; G417-T477 PolarHBondContact O-OG1 3.1Å; G417-R478 PolarHBondContact N-O 3.4Å
418A95.7Very high95.3Very high28 Ų2812.6 Ų12.623%0.2317%0.068CC..SBendtrans-75.1150.9176.800000111.3
419P95.9Very high96Very high39 Ų398.6 Ų8.625%0.2535%0.047SC..  trans-64.9144.3173.428.4-34.3000110.7T477P419-T477 HydrophobicContact CB-CG2 4.32Å
420A96.4Very high96.2Very high1 Ų17.6 Ų7.61%0.0084%0.042CC..  trans-143.3144.6177.100000110I423 A536 L549A420-I423 HydrophobicContact CB-CD1 4.04Å; A420-I423 HydrophobicContact CB-CG1 4.39Å; A420-I423 WeakPolarHBondContact O-CD1 3.18Å; A420-I423 VanDerWaalsContact O-CG1 3.29Å; A420-I423 WeakPolarHBondContact O-CG1 3.39Å; A420-I423 PolarHBondContact O-N 3.12Å; A420-A536 HydrophobicContact CB-CB 4.42Å; A420-L549 WeakPolarHBondContact CB-O 3.34Å
421C96.7Very high96.2Very high1 Ų14.4 Ų4.41%0.0073%0.03CC..THydrogen-bonded Turntrans-60.7141.3174.1-88.20000111.3L549 G550 T553 Q673 P677C421-L549 CarbonylContact O-C 3.6Å; C421-G550 VanDerWaalsContact O-CA 3.3Å; C421-G550 WeakPolarHBondContact O-CA 3.4Å; C421-G550 PolarHBondContact O-N 3.31Å; C421-G550 VanDerWaalsContact O-N 3.07Å; C421-T553 HydrophobicContact CB-CG2 3.85Å; C421-T553 WeakPolarHBondContact CB-OG1 3.18Å; C421-Q673 PolarHBondContact SG-O 3.5Å; C421-P677 HydrophobicContact CB-CB 3.71Å
422G95.4Very high96Very high1 Ų15.4 Ų5.41%0.013%0.034CC..THydrogen-bonded Turntrans96-19.3-177.300000115.1N424 A425 V426G422-N424 VanDerWaalsContact C-N 3.32Å; G422-N424 PolarHBondContact O-N 2.91Å; G422-A425 WeakPolarHBondContact O-CB 3.38Å; G422-A425 PolarHBondContact O-N 3.44Å; G422-V426 PolarHBondContact O-N 3.42Å; G422-V426 VanDerWaalsContact O-N 3.14Å
423I97.1Very high95.6Very high1 Ų15.9 Ų5.91%0.0054%0.036CC..Hα-helixtrans-55.3-47.3176.9-68.8177.2000111.3N415 A420 A425 V426 I427 I505 A536N415-I423 WeakPolarHBondContact OD1-CG2 3.43Å; A420-I423 HydrophobicContact CB-CD1 4.04Å; A420-I423 HydrophobicContact CB-CG1 4.39Å; A420-I423 WeakPolarHBondContact O-CD1 3.18Å; A420-I423 VanDerWaalsContact O-CG1 3.29Å; A420-I423 WeakPolarHBondContact O-CG1 3.39Å; A420-I423 PolarHBondContact O-N 3.12Å; I423-A425 VanDerWaalsContact C-N 3.26Å; I423-A425 PolarHBondContact O-N 3.5Å; I423-V426 WeakPolarHBondContact O-CB 3.48Å; I423-V426 PolarHBondContact O-N 3.28Å; I423-V426 VanDerWaalsContact O-N 3.12Å; I423-I427 HydrophobicContact CG2-CD1 3.88Å; I423-I427 WeakPolarHBondContact O-CG1 3.46Å; I423-I427 PolarHBondContact O-N 3.1Å; I423-I505 HydrophobicContact CB-CG2 4.37Å; I423-I505 HydrophobicContact CG1-CG2 3.89Å; I423-I505 HydrophobicContact CG2-CG2 4.1Å; I423-A536 HydrophobicContact CD1-CB 3.95Å; I423-A536 HydrophobicContact CG1-CB 3.63Å
424N97.4Very high95.3Very high1 Ų15.9 Ų5.91%0.0054%0.036CC..Hα-helixtrans-65.4-30.1-179.9-63.2-36.7000112.6G422 I427 R428 W467 M470 G471 G472 M474G422-N424 VanDerWaalsContact C-N 3.32Å; G422-N424 PolarHBondContact O-N 2.91Å; N424-I427 PolarHBondContact O-N 3.15Å; N424-R428 VanDerWaalsContact O-CB 3.29Å; N424-R428 WeakPolarHBondContact O-CB 3.32Å; N424-R428 PolarHBondContact O-N 3.06Å; N424-W467 HydrophobicContact CB-CB 4.09Å; N424-W467 HydrophobicContact CB-CE3 4.45Å; N424-W467 WeakPolarHBondContact CB-O 3.39Å; N424-M470 PolarHBondContact ND2-O 3.41Å; N424-G471 PolarHBondContact ND2-O 2.93Å; N424-G472 PolarHBondContact ND2-O 3.23Å; N424-M474 WeakPolarHBondContact OD1-CG 3.49Å; N424-M474 PolarHBondContact OD1-N 2.93Å
425A95.7Very high94.9Very high0 Ų07 Ų70%04%0.042CC..Hα-helixtrans-66.9-39.1173.800000111.6G422 I423 G429 V468G422-A425 WeakPolarHBondContact O-CB 3.38Å; G422-A425 PolarHBondContact O-N 3.44Å; I423-A425 VanDerWaalsContact C-N 3.26Å; I423-A425 PolarHBondContact O-N 3.5Å; A425-G429 PolarHBondContact O-N 2.9Å; A425-V468 HydrophobicContact CB-CB 4.24Å; A425-V468 HydrophobicContact CB-CG1 4.12Å; A425-V468 HydrophobicContact CB-CG2 3.97Å
426V95.6Very high94.3Very high0 Ų08 Ų80%05%0.048CC..Hα-helixtrans-61.9-53172.9-177.80000110.3G422 I423 R428 G429 F430 L503 I505 V534 L549 G685 A689G422-V426 PolarHBondContact O-N 3.42Å; G422-V426 VanDerWaalsContact O-N 3.14Å; I423-V426 WeakPolarHBondContact O-CB 3.48Å; I423-V426 PolarHBondContact O-N 3.28Å; I423-V426 VanDerWaalsContact O-N 3.12Å; V426-R428 VanDerWaalsContact C-N 3.26Å; V426-R428 PolarHBondContact O-N 3.5Å; V426-G429 PolarHBondContact O-N 2.92Å; V426-F430 WeakPolarHBondContact O-CB 3.24Å; V426-F430 PolarHBondContact O-N 3.38Å; V426-L503 HydrophobicContact CG1-CD2 4.06Å; V426-I505 HydrophobicContact CB-CD1 3.88Å; V426-I505 HydrophobicContact CG1-CD1 3.55Å; V426-I505 HydrophobicContact CG1-CG1 4.12Å; V426-V534 HydrophobicContact CG1-CG2 4.22Å; V426-V534 HydrophobicContact CG2-CG1 4.08Å; V426-L549 HydrophobicContact CG2-CD1 3.25Å; V426-G685 WeakPolarHBondContact CG2-O 3.06Å; V426-A689 HydrophobicContact CG1-CB 4.29Å; V426-A689 WeakPolarHBondContact O-CB 3.42Å
427I97Very high93.7Very high0 Ų010.1 Ų10.10%06%0.057CC..Hα-helixtrans-56.6-45.3-177.7-62.8163.3000110.5I413 I423 N424 T431 I459 V464 W467 L475 I505I413-I427 HydrophobicContact CD1-CB 4.02Å; I413-I427 HydrophobicContact CD1-CG1 3.67Å; I413-I427 HydrophobicContact CD1-CG2 4.05Å; I413-I427 HydrophobicContact CG1-CG1 4.38Å; I423-I427 HydrophobicContact CG2-CD1 3.88Å; I423-I427 WeakPolarHBondContact O-CG1 3.46Å; I423-I427 PolarHBondContact O-N 3.1Å; N424-I427 PolarHBondContact O-N 3.15Å; I427-T431 WeakPolarHBondContact O-CB 3.4Å; I427-T431 PolarHBondContact O-N 3.27Å; I427-T431 PolarHBondContact O-OG1 3.41Å; I427-I459 HydrophobicContact CG2-CD1 4.25Å; I427-V464 HydrophobicContact CG2-CG1 4.19Å; I427-W467 HydrophobicContact CB-CE3 4.24Å; I427-W467 HydrophobicContact CB-CZ3 4.25Å; I427-W467 HydrophobicContact CD1-CZ3 4.24Å; I427-W467 HydrophobicContact CG2-CE3 3.96Å; I427-W467 HydrophobicContact CG2-CZ3 3.62Å; I427-L475 HydrophobicContact CD1-CD1 3.9Å; I427-L475 HydrophobicContact CD1-CG 4.15Å; I427-L475 HydrophobicContact CG1-CD1 4.41Å; I427-L475 HydrophobicContact CG2-CD1 4.41Å; I427-I505 HydrophobicContact CG1-CD1 3.76Å
428R95Very high93.2Very high15 Ų1511.4 Ų11.46%0.0577%0.07CC..Hα-helixtrans-61-53.4177.5179.8-81.2-171.1-161.112.2111.9E226 N424 V426 F430 T431 R432 V464 W467 V468E226-R428 IonicContact OE1-NE 3.79Å; E226-R428 PolarHBondContact OE1-NE 2.89Å; E226-R428 IonicContact OE2-CZ 2.69Å; E226-R428 VanDerWaalsContact OE2-CZ 3.28Å; E226-R428 IonicContact OE2-NE 3.49Å; E226-R428 PolarHBondContact OE2-NE 3.13Å; E226-R428 IonicContact OE2-NH2 3.69Å; E226-R428 PolarHBondContact OE2-NH2 3.05Å; N424-R428 VanDerWaalsContact O-CB 3.29Å; N424-R428 WeakPolarHBondContact O-CB 3.32Å; N424-R428 PolarHBondContact O-N 3.06Å; V426-R428 VanDerWaalsContact C-N 3.26Å; V426-R428 PolarHBondContact O-N 3.5Å; R428-F430 VanDerWaalsContact C-N 3.3Å; R428-F430 PolarHBondContact O-N 3.47Å; R428-T431 PolarHBondContact O-N 2.65Å; R428-R432 PolarHBondContact O-N 3.47Å; R428-R432 VanDerWaalsContact O-N 3.16Å; R428-V464 HydrophobicContact CB-CB 4.02Å; R428-V464 HydrophobicContact CB-CG2 4.32Å; R428-V464 HydrophobicContact CG-CB 4.1Å; R428-V464 HydrophobicContact CG-CG2 4.02Å; R428-V464 VanDerWaalsContact CG-O 3.26Å; R428-V464 WeakPolarHBondContact CG-O 3.31Å; R428-W467 HydrophobicContact CB-CB 4.1Å; R428-V468 HydrophobicContact CB-CG2 4.23Å; R428-V468 HydrophobicContact CG-CG2 4.05Å
429G93Very high92.9Very high0 Ų010.3 Ų10.30%06%0.06CC..Hα-helixtrans-60.1-44-177.800000111.4A425 V426 L433A425-G429 PolarHBondContact O-N 2.9Å; V426-G429 PolarHBondContact O-N 2.92Å; G429-L433 WeakPolarHBondContact O-CB 3.41Å; G429-L433 VanDerWaalsContact O-CG 3.32Å; G429-L433 WeakPolarHBondContact O-CG 3.42Å; G429-L433 PolarHBondContact O-N 3.2Å; G429-L433 VanDerWaalsContact O-N 3.14Å
430F94.5Very high92.8Very high0 Ų011.7 Ų11.70%06%0.062CC..Hα-helixtrans-67.3-46.2-177.6-173.6-94.8000111.1I411 I413 V426 R428 R432 L433 G434 L503 A689 A692 I693 L696I411-F430 HydrophobicContact CG2-CE1 3.81Å; I411-F430 HydrophobicContact CG2-CZ 3.73Å; I413-F430 HydrophobicContact CD1-CB 4.48Å; I413-F430 HydrophobicContact CD1-CD1 4.07Å; I413-F430 HydrophobicContact CD1-CG 4.48Å; V426-F430 WeakPolarHBondContact O-CB 3.24Å; V426-F430 PolarHBondContact O-N 3.38Å; R428-F430 VanDerWaalsContact C-N 3.3Å; R428-F430 PolarHBondContact O-N 3.47Å; F430-R432 PolarHBondContact O-N 2.77Å; F430-L433 PolarHBondContact O-N 3.27Å; F430-G434 PolarHBondContact O-N 3.17Å; F430-L503 HydrophobicContact CB-CD2 4.19Å; F430-L503 HydrophobicContact CD1-CD2 4.06Å; F430-L503 HydrophobicContact CD2-CD2 3.54Å; F430-L503 HydrophobicContact CE1-CB 4.31Å; F430-L503 HydrophobicContact CE1-CD2 4.31Å; F430-L503 HydrophobicContact CE2-CB 4.34Å; F430-L503 HydrophobicContact CE2-CD2 3.81Å; F430-L503 HydrophobicContact CG-CD2 3.65Å; F430-L503 HydrophobicContact CZ-CB 4.06Å; F430-L503 HydrophobicContact CZ-CD2 4.18Å; F430-A689 HydrophobicContact CB-CB 4.11Å; F430-A689 VanDerWaalsContact N-CB 3.32Å; F430-A692 HydrophobicContact CD2-CB 4.03Å; F430-A692 HydrophobicContact CE2-CB 4.03Å; F430-I693 HydrophobicContact CD2-CB 3.75Å; F430-I693 HydrophobicContact CD2-CD1 4.31Å; F430-I693 HydrophobicContact CE1-CD1 4.22Å; F430-I693 HydrophobicContact CE2-CB 3.64Å; F430-I693 HydrophobicContact CE2-CD1 3.67Å; F430-I693 HydrophobicContact CE2-CG1 4.21Å; F430-I693 HydrophobicContact CZ-CB 4.48Å; F430-I693 HydrophobicContact CZ-CD1 3.62Å; F430-L696 HydrophobicContact CE2-CD1 3.74Å; F430-L696 HydrophobicContact CZ-CD1 3.54Å
431T94.3Very high92.8Very high0 Ų011.7 Ų11.70%06%0.062CC..Hα-helixtrans-59.8-50.3-179.7-60.30000111.2I427 R428 G434 I435 V441 I459 V464I427-T431 WeakPolarHBondContact O-CB 3.4Å; I427-T431 PolarHBondContact O-N 3.27Å; I427-T431 PolarHBondContact O-OG1 3.41Å; R428-T431 PolarHBondContact O-N 2.65Å; T431-G434 PolarHBondContact O-N 3.22Å; T431-I435 HydrophobicContact CG2-CD1 3.84Å; T431-I435 VanDerWaalsContact O-CG1 3.3Å; T431-I435 WeakPolarHBondContact O-CG1 3.37Å; T431-I435 PolarHBondContact O-N 2.65Å; T431-V441 HydrophobicContact CG2-CB 4.27Å; T431-V441 HydrophobicContact CG2-CG1 4.37Å; T431-V441 HydrophobicContact CG2-CG2 4.47Å; T431-I459 HydrophobicContact CG2-CB 4.16Å; T431-I459 HydrophobicContact CG2-CG2 3.82Å; T431-V464 HydrophobicContact CG2-CG1 4.27Å; T431-V464 HydrophobicContact CG2-CG2 4.31Å
432R90.7Very high92.9Very high22 Ų2212 Ų128%0.0836%0.064CC..Hα-helixtrans-63.8-46.9-178.4-70.6-166.8-178.7174.314.4112E226 R428 F430 G434 I435 T436 W461 V464E226-R432 IonicContact OE2-CZ 2.8Å; E226-R432 IonicContact OE2-NH1 3.53Å; E226-R432 IonicContact OE2-NH2 2.64Å; E226-R432 PolarHBondContact OE2-NH2 3.29Å; R428-R432 PolarHBondContact O-N 3.47Å; R428-R432 VanDerWaalsContact O-N 3.16Å; F430-R432 PolarHBondContact O-N 2.77Å; R432-G434 VanDerWaalsContact C-N 3.33Å; R432-G434 PolarHBondContact O-N 2.74Å; R432-I435 PolarHBondContact O-N 3.09Å; R432-T436 WeakPolarHBondContact O-CB 3.41Å; R432-T436 PolarHBondContact O-N 3.38Å; R432-T436 PolarHBondContact O-OG1 3.32Å; R432-T436 VanDerWaalsContact O-OG1 3.1Å; R432-W461 HydrophobicContact CB-CD2 4.48Å; R432-W461 HydrophobicContact CB-CE3 3.92Å; R432-W461 HydrophobicContact CB-CH2 3.91Å; R432-W461 HydrophobicContact CB-CZ2 4.45Å; R432-W461 HydrophobicContact CB-CZ3 3.61Å; R432-W461 HydrophobicContact CG-CD2 3.9Å; R432-W461 HydrophobicContact CG-CE3 3.81Å; R432-W461 HydrophobicContact CG-CH2 4.15Å; R432-W461 HydrophobicContact CG-CZ2 4.22Å; R432-W461 HydrophobicContact CG-CZ3 3.95Å; R432-W461 WeakPolarHBondContact O-CZ3 3.08Å; R432-V464 HydrophobicContact CG-CG2 4.21Å
433L90.3Very high93Very high10 Ų1012 Ų125%0.0526%0.063CC..Hα-helixtrans-67.1-34.4178.3-68.6174.2000112.6K391 L392 G429 F430 T436 K437 S690 I693K391-L433 HydrophobicContact CB-CD2 4.13Å; L392-L433 HydrophobicContact CD2-CD1 3.74Å; L392-L433 HydrophobicContact CD2-CD2 3.83Å; L392-L433 HydrophobicContact CD2-CG 3.59Å; L392-L433 HydrophobicContact CG-CD1 4.44Å; L392-L433 HydrophobicContact CG-CD2 4.41Å; G429-L433 WeakPolarHBondContact O-CB 3.41Å; G429-L433 VanDerWaalsContact O-CG 3.32Å; G429-L433 WeakPolarHBondContact O-CG 3.42Å; G429-L433 PolarHBondContact O-N 3.2Å; G429-L433 VanDerWaalsContact O-N 3.14Å; F430-L433 PolarHBondContact O-N 3.27Å; L433-T436 WeakPolarHBondContact O-CB 3.42Å; L433-T436 PolarHBondContact O-N 3.5Å; L433-K437 PolarHBondContact O-N 3.32Å; L433-S690 VanDerWaalsContact CD1-CA 3.5Å; L433-I693 HydrophobicContact CB-CG1 4.46Å; L433-I693 HydrophobicContact CB-CG2 3.66Å; L433-I693 HydrophobicContact CD1-CG2 3.87Å; L433-I693 HydrophobicContact CG-CG2 4.42Å
434G91.2Very high93.1Very high0 Ų012 Ų120%06%0.063CC..Hα-helixtrans-64.3-46.7175.100000112.2F430 T431 R432 T436 K437 G438 Y439F430-G434 PolarHBondContact O-N 3.17Å; T431-G434 PolarHBondContact O-N 3.22Å; R432-G434 VanDerWaalsContact C-N 3.33Å; R432-G434 PolarHBondContact O-N 2.74Å; G434-T436 VanDerWaalsContact C-N 3.32Å; G434-T436 PolarHBondContact O-N 3.07Å; G434-K437 CarbonylContact O-C 3.51Å; G434-K437 WeakPolarHBondContact O-CA 3.47Å; G434-K437 PolarHBondContact O-N 3.38Å; G434-G438 PolarHBondContact O-N 2.83Å; G434-G438 VanDerWaalsContact O-N 3.15Å; G434-Y439 PolarHBondContact O-N 3.14Å
435I89Confident93.1Very high24 Ų2413.8 Ų13.812%0.1237%0.072CC..Hα-helixtrans-61.1-43.5174.1-68.3167.7000110.4Q397 T431 R432 K437 G438 W461Q397-I435 HydrophobicContact CG-CG2 4.44Å; T431-I435 HydrophobicContact CG2-CD1 3.84Å; T431-I435 VanDerWaalsContact O-CG1 3.3Å; T431-I435 WeakPolarHBondContact O-CG1 3.37Å; T431-I435 PolarHBondContact O-N 2.65Å; R432-I435 PolarHBondContact O-N 3.09Å; I435-K437 VanDerWaalsContact C-N 3.27Å; I435-K437 PolarHBondContact O-N 3.48Å; I435-G438 PolarHBondContact O-N 3.38Å; I435-W461 HydrophobicContact CB-CE3 4.36Å; I435-W461 HydrophobicContact CD1-CB 4.12Å; I435-W461 HydrophobicContact CD1-CE3 4.49Å; I435-W461 HydrophobicContact CG2-CE3 4.24Å
436T84.4Confident93.1Very high19 Ų1916.9 Ų16.912%0.1179%0.086CC..Hα-helixtrans-55.9-43.6172.5-69.80000109.9P398 R432 L433 G434 G438P398-T436 VanDerWaalsContact CD-CG2 3.48Å; P398-T436 WeakPolarHBondContact CD-O 3.3Å; P398-T436 HydrophobicContact CG-CG2 3.48Å; P398-T436 VanDerWaalsContact CG-CG2 3.48Å; P398-T436 WeakPolarHBondContact CG-O 3.5Å; R432-T436 WeakPolarHBondContact O-CB 3.41Å; R432-T436 PolarHBondContact O-N 3.38Å; R432-T436 PolarHBondContact O-OG1 3.32Å; R432-T436 VanDerWaalsContact O-OG1 3.1Å; L433-T436 WeakPolarHBondContact O-CB 3.42Å; L433-T436 PolarHBondContact O-N 3.5Å; G434-T436 VanDerWaalsContact C-N 3.32Å; G434-T436 PolarHBondContact O-N 3.07Å; T436-G438 PolarHBondContact O-N 2.87Å; T436-G438 VanDerWaalsContact O-N 3.15Å
437K85.9Confident93.2Very high47 Ų4716.9 Ų16.920%0.2049%0.086CC..THydrogen-bonded Turntrans-75.10.5176.5-71.7167.6174-75.70115S404 L433 G434 I435 Y439 I693 D694 D697S404-K437 PolarHBondContact OG-O 2.92Å; L433-K437 PolarHBondContact O-N 3.32Å; G434-K437 CarbonylContact O-C 3.51Å; G434-K437 WeakPolarHBondContact O-CA 3.47Å; G434-K437 PolarHBondContact O-N 3.38Å; I435-K437 VanDerWaalsContact C-N 3.27Å; I435-K437 PolarHBondContact O-N 3.48Å; K437-Y439 HydrophobicContact CB-CD2 3.72Å; K437-Y439 HydrophobicContact CB-CE2 3.7Å; K437-I693 HydrophobicContact CD-CG1 3.85Å; K437-D694 WeakPolarHBondContact CE-OD1 3.5Å; K437-D694 IonicContact NZ-OD1 2.72Å; K437-D694 PolarHBondContact NZ-OD1 2.73Å; K437-D697 HydrophobicContact CD-CB 3.86Å; K437-D697 IonicContact NZ-OD2 3.67Å; K437-D697 PolarHBondContact NZ-OD2 3.34Å
438G85.6Confident93.2Very high31 Ų3116.9 Ų16.932%0.329%0.086SC..THydrogen-bonded Turntrans90.910.8177.300000115G434 I435 T436G434-G438 PolarHBondContact O-N 2.83Å; G434-G438 VanDerWaalsContact O-N 3.15Å; I435-G438 PolarHBondContact O-N 3.38Å; T436-G438 PolarHBondContact O-N 2.87Å; T436-G438 VanDerWaalsContact O-N 3.15Å
439Y90.6Very high93.3Very high5 Ų516.9 Ų16.92%0.029%0.088CC..PPolyproline II helixtrans-85.8147176.6-62-75.2000112L409 I411 G434 K437 I693 D697 I700L409-Y439 HydrophobicContact CB-CD1 3.78Å; L409-Y439 HydrophobicContact CB-CE1 3.91Å; L409-Y439 HydrophobicContact CD1-CE1 4Å; I411-Y439 HydrophobicContact CD1-CD1 3.64Å; I411-Y439 HydrophobicContact CD1-CD2 3.77Å; I411-Y439 HydrophobicContact CD1-CE1 4.01Å; I411-Y439 HydrophobicContact CD1-CE2 4.13Å; I411-Y439 HydrophobicContact CD1-CG 3.51Å; I411-Y439 HydrophobicContact CG1-CD1 3.86Å; I411-Y439 HydrophobicContact CG1-CE1 4.44Å; I411-Y439 HydrophobicContact CG1-CG 4.03Å; G434-Y439 PolarHBondContact O-N 3.14Å; K437-Y439 HydrophobicContact CB-CD2 3.72Å; K437-Y439 HydrophobicContact CB-CE2 3.7Å; Y439-I693 HydrophobicContact CD2-CD1 4.4Å; Y439-D697 HydrophobicContact CE2-CB 4.11Å; Y439-D697 VanDerWaalsContact CE2-OD1 3.29Å; Y439-D697 WeakPolarHBondContact CE2-OD1 3.28Å; Y439-D697 PolarHBondContact OH-OD1 3.31Å; Y439-I700 HydrophobicContact CE1-CD1 4.1Å; Y439-I700 HydrophobicContact CE1-CG2 4.23Å
440K93.7Very high93.5Very high67 Ų6717 Ų1729%0.2919%0.09SC..EExtended strand (participates in β ladder)trans-86.8126.5161.5-75.3-178.2174.3167.50109.9N408 L409 R410 I411N408-K440 WeakPolarHBondContact OD1-CD 3.45Å; N408-K440 VanDerWaalsContact OD1-CE 3.24Å; N408-K440 WeakPolarHBondContact OD1-CE 3.38Å; N408-K440 PolarHBondContact OD1-NZ 3.4Å; L409-K440 PolarHBondContact O-N 2.71Å; R410-K440 CarbonylContact C-O 3.54Å; R410-K440 VanDerWaalsContact CA-O 3.26Å; R410-K440 WeakPolarHBondContact CA-O 3.38Å; R410-K440 HydrophobicContact CG-CB 4.07Å; I411-K440 PolarHBondContact N-O 3.19Å
441V95.8Very high93.6Very high1 Ų117.1 Ų17.11%0.0069%0.09CC..EExtended strand (participates in β ladder)trans-99.3121.9-177.1-178.20000109.1I411 I413 T431 E458 I459I411-V441 WeakPolarHBondContact O-CA 3.29Å; I413-V441 HydrophobicContact CG2-CG1 4.09Å; T431-V441 HydrophobicContact CG2-CB 4.27Å; T431-V441 HydrophobicContact CG2-CG1 4.37Å; T431-V441 HydrophobicContact CG2-CG2 4.47Å; V441-E458 CarbonylContact O-C 3.44Å; V441-E458 WeakPolarHBondContact O-CA 3.49Å; V441-I459 PolarHBondContact O-N 2.97Å
442I98.1Very high93.7Very high9 Ų919 Ų195%0.04610%0.102CC..EExtended strand (participates in β ladder)trans-106.4111.1-177.8-52.7-57.7000109R410 I411 G412 I413 A456 S457 E458 L497 L499R410-I442 HydrophobicContact CB-CG1 4.19Å; I411-I442 PolarHBondContact O-N 3.46Å; G412-I442 CarbonylContact C-O 3.56Å; G412-I442 WeakPolarHBondContact CA-O 3.37Å; I413-I442 PolarHBondContact N-O 2.82Å; I442-A456 HydrophobicContact CG2-CB 3.99Å; I442-S457 CarbonylContact C-O 3.56Å; I442-E458 HydrophobicContact CD1-CB 4.09Å; I442-E458 HydrophobicContact CD1-CG 4.26Å; I442-L497 HydrophobicContact CG2-CD1 4.38Å; I442-L499 HydrophobicContact CB-CD2 4.34Å; I442-L499 HydrophobicContact CG1-CD2 4.3Å
443G98Very high94Very high0 Ų026.4 Ų26.40%014%0.135CC..EExtended strand (participates in β ladder)trans-76.5119.4172.200000110.7A456 S457G443-A456 CarbonylContact O-C 3.28Å; G443-A456 WeakPolarHBondContact O-CA 3.46Å; G443-S457 PolarHBondContact N-O 2.8Å; G443-S457 PolarHBondContact O-N 3.11Å
444I98.3Very high94.2Very high0 Ų027.8 Ų27.80%015%0.151CC..EExtended strand (participates in β ladder)trans-92.5112.3172.6-62171.1000107.1I413 V414 G447 L451 A456 L502I413-I444 WeakPolarHBondContact O-CB 3.42Å; I413-I444 PolarHBondContact O-N 2.8Å; V414-I444 HydrophobicContact CB-CB 3.89Å; V414-I444 HydrophobicContact CB-CD1 4.11Å; V414-I444 HydrophobicContact CB-CG2 4.21Å; V414-I444 HydrophobicContact CG2-CB 3.97Å; V414-I444 HydrophobicContact CG2-CG2 3.75Å; I444-G447 WeakPolarHBondContact CG2-O 3.19Å; I444-L451 HydrophobicContact CD1-CD1 4Å; I444-L451 HydrophobicContact CD1-CD2 4.44Å; I444-L451 HydrophobicContact CG1-CD1 4.1Å; I444-L451 HydrophobicContact CG2-CB 3.65Å; I444-L451 HydrophobicContact CG2-CD1 4.18Å; I444-L451 HydrophobicContact CG2-CG 4.41Å; I444-A456 HydrophobicContact CG1-CB 4.38Å; I444-L502 HydrophobicContact CD1-CD1 4.09Å
445H97.6Very high94.5Very high40 Ų4031.5 Ų31.519%0.18517%0.171CC..THydrogen-bonded Turntrans-82.6146.9-176.1-60.2-79000110.8G447 G450 D455 S457 L475H445-G447 PolarHBondContact O-N 2.73Å; H445-G447 VanDerWaalsContact O-N 3.16Å; H445-G450 VanDerWaalsContact O-CA 3.24Å; H445-G450 WeakPolarHBondContact O-CA 3.27Å; H445-D455 HydrophobicContact CB-CB 4.38Å; H445-D455 IonicContact CD2-OD1 3.82Å; H445-D455 PolarHBondContact CD2-OD1 3.11Å; H445-D455 IonicContact CG-OD1 3.12Å; H445-D455 PolarHBondContact N-O 2.95Å; H445-S457 PolarHBondContact NE2-OG 3.29Å; H445-L475 CarbonylContact C-O 3.57Å; H445-L475 WeakPolarHBondContact CA-O 3.29Å
446E96.9Very high94.9Very high64 Ų6431.6 Ų31.630%0.29918%0.175SC..THydrogen-bonded Turntrans54.236.9173.4-56.4-71.6-147.400114.7G450 L475 G476 T477 R478E446-G450 PolarHBondContact O-N 3Å; E446-L475 PolarHBondContact N-O 3.4Å; E446-G476 WeakPolarHBondContact OE2-CA 3.34Å; E446-T477 PolarHBondContact OE2-N 3Å; E446-R478 HydrophobicContact CB-CG 4.34Å; E446-R478 WeakPolarHBondContact O-CG 3.44Å; E446-R478 IonicContact OE1-CZ 2.7Å; E446-R478 IonicContact OE1-NH1 3.84Å; E446-R478 IonicContact OE1-NH2 2.93Å; E446-R478 PolarHBondContact OE1-NH2 3.14Å; E446-R478 IonicContact OE2-CZ 3.75Å; E446-R478 IonicContact OE2-NE 3.55Å; E446-R478 IonicContact OE2-NH1 3.51Å; E446-R478 PolarHBondContact OE2-NH1 3.23Å; E446-R478 IonicContact OE2-NH2 3.69Å; E446-R478 PolarHBondContact OE2-NH2 2.94Å; E446-R478 VanDerWaalsContact OE2-NH2 3.08Å
447G96.8Very high95.5Very high0 Ų033.3 Ų33.30%019%0.188CC..Hα-helixtrans67.6-160.817700000113.9N415 I444 H445 S449 G450 L451N415-G447 WeakPolarHBondContact O-CA 3.35Å; I444-G447 WeakPolarHBondContact CG2-O 3.19Å; H445-G447 PolarHBondContact O-N 2.73Å; H445-G447 VanDerWaalsContact O-N 3.16Å; G447-S449 PolarHBondContact O-N 2.92Å; G447-G450 PolarHBondContact O-N 2.94Å; G447-G450 VanDerWaalsContact O-N 3.13Å; G447-L451 PolarHBondContact O-N 2.92Å; G447-L451 VanDerWaalsContact O-N 3.16Å
448F97.7Very high96Very high1 Ų134.7 Ų34.70%0.00420%0.195CC..Hα-helixtrans-63.7-25.1177.6-70.5-71.6000113V414 V416 L451 V452 P482 L485 V490 F494 I504 C513 L517V414-F448 HydrophobicContact CG1-CE2 4.47Å; V414-F448 HydrophobicContact CG1-CZ 4.09Å; V416-F448 HydrophobicContact CG2-CD2 3.95Å; V416-F448 HydrophobicContact CG2-CE2 3.74Å; F448-L451 HydrophobicContact CD1-CD2 3.9Å; F448-L451 HydrophobicContact CE1-CD2 4.35Å; F448-L451 WeakPolarHBondContact O-CB 3.36Å; F448-L451 PolarHBondContact O-N 2.94Å; F448-V452 WeakPolarHBondContact O-CG2 3.34Å; F448-V452 PolarHBondContact O-N 3.42Å; F448-P482 HydrophobicContact CD1-CG 4.36Å; F448-P482 HydrophobicContact CD2-CG 4.04Å; F448-P482 HydrophobicContact CE1-CG 4.38Å; F448-P482 HydrophobicContact CE2-CG 4.06Å; F448-P482 HydrophobicContact CG-CG 4.21Å; F448-P482 HydrophobicContact CZ-CG 4.24Å; F448-L485 VanDerWaalsContact C-CD1 3.41Å; F448-L485 HydrophobicContact CB-CD1 3.67Å; F448-V490 HydrophobicContact CD1-CG1 3.98Å; F448-V490 HydrophobicContact CD1-CG2 4.49Å; F448-V490 HydrophobicContact CE1-CG1 4.21Å; F448-F494 HydrophobicContact CE1-CE2 4.25Å; F448-F494 HydrophobicContact CE1-CZ 4.3Å; F448-I504 HydrophobicContact CZ-CD1 4.25Å; F448-C513 HydrophobicContact CD2-CB 4.35Å; F448-C513 HydrophobicContact CE2-CB 3.64Å; F448-C513 HydrophobicContact CZ-CB 4.43Å; F448-L517 HydrophobicContact CE1-CD1 4.23Å; F448-L517 HydrophobicContact CZ-CD1 3.79Å
449S96.9Very high96.5Very high15 Ų1533.5 Ų33.511%0.10518%0.182CC..Hα-helixtrans-60.9-43.2172.6-86.90000112.4G447 K453 D480G447-S449 PolarHBondContact O-N 2.92Å; S449-K453 WeakPolarHBondContact O-CD 3.35Å; S449-K453 WeakPolarHBondContact O-CG 3.45Å; S449-K453 PolarHBondContact O-N 2.76Å; S449-D480 WeakPolarHBondContact CB-OD2 3.48Å; S449-D480 WeakPolarHBondContact OG-CB 3.23Å; S449-D480 PolarHBondContact OG-OD2 3.3Å
450G96.8Very high96.5Very high3 Ų337.6 Ų37.63%0.03120%0.201CC..Hα-helixtrans-71.5-37.4174.100000112.2H445 E446 G447 V452 K453 G454 D455H445-G450 VanDerWaalsContact O-CA 3.24Å; H445-G450 WeakPolarHBondContact O-CA 3.27Å; E446-G450 PolarHBondContact O-N 3Å; G447-G450 PolarHBondContact O-N 2.94Å; G447-G450 VanDerWaalsContact O-N 3.13Å; G450-V452 PolarHBondContact O-N 3.11Å; G450-K453 CarbonylContact O-C 3.57Å; G450-K453 WeakPolarHBondContact O-CA 3.34Å; G450-K453 WeakPolarHBondContact O-CB 3.32Å; G450-K453 PolarHBondContact O-N 3.43Å; G450-G454 PolarHBondContact O-N 3.42Å; G450-D455 WeakPolarHBondContact O-CB 3.42Å; G450-D455 PolarHBondContact O-N 3.19Å
451L97.5Very high96.1Very high1 Ų136.7 Ų36.71%0.00520%0.195CC..Hα-helixtrans-53.5-51.3174.3-176.865.4000112.5I444 G447 F448 K453 G454 V490 K493 F494 L497I444-L451 HydrophobicContact CD1-CD1 4Å; I444-L451 HydrophobicContact CD1-CD2 4.44Å; I444-L451 HydrophobicContact CG1-CD1 4.1Å; I444-L451 HydrophobicContact CG2-CB 3.65Å; I444-L451 HydrophobicContact CG2-CD1 4.18Å; I444-L451 HydrophobicContact CG2-CG 4.41Å; G447-L451 PolarHBondContact O-N 2.92Å; G447-L451 VanDerWaalsContact O-N 3.16Å; F448-L451 HydrophobicContact CD1-CD2 3.9Å; F448-L451 HydrophobicContact CE1-CD2 4.35Å; F448-L451 WeakPolarHBondContact O-CB 3.36Å; F448-L451 PolarHBondContact O-N 2.94Å; L451-K453 PolarHBondContact O-N 3.39Å; L451-G454 WeakPolarHBondContact O-CA 3.32Å; L451-G454 PolarHBondContact O-N 3.37Å; L451-V490 HydrophobicContact CD2-CG1 4.05Å; L451-K493 HydrophobicContact CD1-CB 3.95Å; L451-K493 HydrophobicContact CD2-CB 4.27Å; L451-K493 HydrophobicContact CG-CB 3.82Å; L451-K493 HydrophobicContact CG-CG 4.38Å; L451-K493 WeakPolarHBondContact O-CG 3.21Å; L451-F494 HydrophobicContact CD2-CD2 3.86Å; L451-F494 HydrophobicContact CD2-CE2 3.54Å; L451-L497 HydrophobicContact CD1-CD1 3.55Å
452V97Very high95.6Very high40 Ų4038.9 Ų38.924%0.24221%0.214CC..Hα-helixtrans-61.9-31.6-179.5171.70000111.2F448 G450 G454 L485 K489 V490F448-V452 WeakPolarHBondContact O-CG2 3.34Å; F448-V452 PolarHBondContact O-N 3.42Å; G450-V452 PolarHBondContact O-N 3.11Å; V452-G454 VanDerWaalsContact C-N 3.26Å; V452-G454 PolarHBondContact O-N 3.26Å; V452-L485 HydrophobicContact CG2-CB 4.41Å; V452-L485 HydrophobicContact CG2-CD1 4.47Å; V452-K489 HydrophobicContact CG1-CB 4.1Å; V452-K489 HydrophobicContact CG1-CD 4.07Å; V452-K489 HydrophobicContact CG2-CB 4.17Å; V452-V490 HydrophobicContact CG2-CG2 3.83Å
453K96.4Very high95.2Very high178 Ų17842.4 Ų42.477%0.77423%0.233SC*.Hα-helixtrans-78.1-6.6174.3-66.4171.4-174.2174.10113.7S449 G450 L451S449-K453 WeakPolarHBondContact O-CD 3.35Å; S449-K453 WeakPolarHBondContact O-CG 3.45Å; S449-K453 PolarHBondContact O-N 2.76Å; G450-K453 CarbonylContact O-C 3.57Å; G450-K453 WeakPolarHBondContact O-CA 3.34Å; G450-K453 WeakPolarHBondContact O-CB 3.32Å; G450-K453 PolarHBondContact O-N 3.43Å; L451-K453 PolarHBondContact O-N 3.39Å
454G94.4Very high94.9Very high39 Ų3942.4 Ų42.440%0.40223%0.233SC..THydrogen-bonded Turntrans82.817.6-177.500000114.2G450 L451 V452 A456G450-G454 PolarHBondContact O-N 3.42Å; L451-G454 WeakPolarHBondContact O-CA 3.32Å; L451-G454 PolarHBondContact O-N 3.37Å; V452-G454 VanDerWaalsContact C-N 3.26Å; V452-G454 PolarHBondContact O-N 3.26Å; G454-A456 VanDerWaalsContact C-N 3.35Å; G454-A456 PolarHBondContact O-N 3.22Å; G454-A456 VanDerWaalsContact O-N 3.11Å
455D96.8Very high94.4Very high78 Ų7845.6 Ų45.642%0.41725%0.245SC..  trans-85.876.1178.9-163.57.5000110.9H445 G450H445-D455 HydrophobicContact CB-CB 4.38Å; H445-D455 IonicContact CD2-OD1 3.82Å; H445-D455 PolarHBondContact CD2-OD1 3.11Å; H445-D455 IonicContact CG-OD1 3.12Å; H445-D455 PolarHBondContact N-O 2.95Å; G450-D455 WeakPolarHBondContact O-CB 3.42Å; G450-D455 PolarHBondContact O-N 3.19Å
456A97.3Very high93.9Very high26 Ų2645.7 Ų45.722%0.21526%0.256CS..EExtended strand (participates in β ladder)trans-140.2134.317600000110.4I442 G443 I444 G454 L497I442-A456 HydrophobicContact CG2-CB 3.99Å; G443-A456 CarbonylContact O-C 3.28Å; G443-A456 WeakPolarHBondContact O-CA 3.46Å; I444-A456 HydrophobicContact CG1-CB 4.38Å; G454-A456 VanDerWaalsContact C-N 3.35Å; G454-A456 PolarHBondContact O-N 3.22Å; G454-A456 VanDerWaalsContact O-N 3.11Å; A456-L497 HydrophobicContact CB-CD1 3.84Å; A456-L497 HydrophobicContact CB-CD2 4.26Å
457S96.8Very high93.8Very high54 Ų5444 Ų4438%0.37825%0.247SC..EExtended strand (participates in β ladder)trans-137.3152-17768.80000112.2I442 G443 H445 I459I442-S457 CarbonylContact C-O 3.56Å; G443-S457 PolarHBondContact N-O 2.8Å; G443-S457 PolarHBondContact O-N 3.11Å; H445-S457 PolarHBondContact NE2-OG 3.29Å; S457-I459 PolarHBondContact O-N 3.32Å
458E96.5Very high93.6Very high76 Ų7644.1 Ų44.136%0.35525%0.248SC..EExtended strand (participates in β ladder)trans-66.9130.7172.8-165.8177.1147.200110V441 I442 Q460V441-E458 CarbonylContact O-C 3.44Å; V441-E458 WeakPolarHBondContact O-CA 3.49Å; I442-E458 HydrophobicContact CD1-CB 4.09Å; I442-E458 HydrophobicContact CD1-CG 4.26Å; E458-Q460 VanDerWaalsContact CG-NE2 3.33Å; E458-Q460 PolarHBondContact OE1-NE2 2.77Å
459I95.6Very high93.4Very high7 Ų745 Ų454%0.03626%0.257CS..PPolyproline II helixtrans-96.8119.1175.5-51.8178.1000108.3I413 I427 T431 V441 S457 D463 V464 L475I413-I459 HydrophobicContact CG2-CD1 3.85Å; I427-I459 HydrophobicContact CG2-CD1 4.25Å; T431-I459 HydrophobicContact CG2-CB 4.16Å; T431-I459 HydrophobicContact CG2-CG2 3.82Å; V441-I459 PolarHBondContact O-N 2.97Å; S457-I459 PolarHBondContact O-N 3.32Å; I459-D463 HydrophobicContact CG2-CB 4.01Å; I459-V464 HydrophobicContact CG2-CG1 3.47Å; I459-V464 VanDerWaalsContact CG2-CG1 3.47Å; I459-L475 HydrophobicContact CD1-CD1 4.19Å; I459-L475 HydrophobicContact CD1-CD2 3.95Å
460Q90.6Very high93.3Very high90 Ų9047.5 Ų47.542%0.42127%0.268SS..PPolyproline II helixtrans-86.5163.2177.1-57.9-60.5-47.700111.8E458 A462 D463E458-Q460 VanDerWaalsContact CG-NE2 3.33Å; E458-Q460 PolarHBondContact OE1-NE2 2.77Å; Q460-A462 PolarHBondContact O-N 2.95Å; Q460-A462 VanDerWaalsContact O-N 3.16Å; Q460-D463 WeakPolarHBondContact CA-OD2 3.43Å; Q460-D463 VanDerWaalsContact CB-OD2 3.31Å; Q460-D463 WeakPolarHBondContact CB-OD2 3.37Å; Q460-D463 PolarHBondContact N-OD2 2.87Å; Q460-D463 WeakPolarHBondContact O-CB 3.39Å; Q460-D463 PolarHBondContact O-N 3.48Å; Q460-D463 VanDerWaalsContact O-N 3.07Å
461W86.3Confident93.2Very high48 Ų4848.4 Ų48.418%0.18228%0.277CS..THydrogen-bonded Turntrans-52.6-39.2177.8-176.8-82.1000113.5R432 I435R432-W461 HydrophobicContact CB-CD2 4.48Å; R432-W461 HydrophobicContact CB-CE3 3.92Å; R432-W461 HydrophobicContact CB-CH2 3.91Å; R432-W461 HydrophobicContact CB-CZ2 4.45Å; R432-W461 HydrophobicContact CB-CZ3 3.61Å; R432-W461 HydrophobicContact CG-CD2 3.9Å; R432-W461 HydrophobicContact CG-CE3 3.81Å; R432-W461 HydrophobicContact CG-CH2 4.15Å; R432-W461 HydrophobicContact CG-CZ2 4.22Å; R432-W461 HydrophobicContact CG-CZ3 3.95Å; R432-W461 WeakPolarHBondContact O-CZ3 3.08Å; I435-W461 HydrophobicContact CB-CE3 4.36Å; I435-W461 HydrophobicContact CD1-CB 4.12Å; I435-W461 HydrophobicContact CD1-CE3 4.49Å; I435-W461 HydrophobicContact CG2-CE3 4.24Å
462A85.3Confident93Very high47 Ų4749.9 Ų49.939%0.38829%0.293SS..THydrogen-bonded Turntrans-76.9-25.3-177.600000113.3Q460 V464 R465Q460-A462 PolarHBondContact O-N 2.95Å; Q460-A462 VanDerWaalsContact O-N 3.16Å; A462-V464 VanDerWaalsContact C-N 3.32Å; A462-V464 PolarHBondContact O-N 2.87Å; A462-R465 VanDerWaalsContact O-CB 3.3Å; A462-R465 WeakPolarHBondContact O-CB 3.43Å; A462-R465 PolarHBondContact O-N 3.15Å
463D90.1Very high92.9Very high83 Ų8349.2 Ų49.244%0.44429%0.29SS..THydrogen-bonded Turntrans-68.7-33.5-172.7-60.5-21.8000111.9I459 Q460 R465 W467I459-D463 HydrophobicContact CG2-CB 4.01Å; Q460-D463 WeakPolarHBondContact CA-OD2 3.43Å; Q460-D463 VanDerWaalsContact CB-OD2 3.31Å; Q460-D463 WeakPolarHBondContact CB-OD2 3.37Å; Q460-D463 PolarHBondContact N-OD2 2.87Å; Q460-D463 WeakPolarHBondContact O-CB 3.39Å; Q460-D463 PolarHBondContact O-N 3.48Å; Q460-D463 VanDerWaalsContact O-N 3.07Å; D463-R465 VanDerWaalsContact C-N 3.29Å; D463-R465 PolarHBondContact O-N 2.98Å; D463-W467 PolarHBondContact O-NE1 3.13Å
464V92.1Very high92.9Very high0 Ų045 Ų450%027%0.274CS..THydrogen-bonded Turntrans-89.114.4-179.1-620000113.8I427 R428 T431 R432 I459 A462 G466 W467I427-V464 HydrophobicContact CG2-CG1 4.19Å; R428-V464 HydrophobicContact CB-CB 4.02Å; R428-V464 HydrophobicContact CB-CG2 4.32Å; R428-V464 HydrophobicContact CG-CB 4.1Å; R428-V464 HydrophobicContact CG-CG2 4.02Å; R428-V464 VanDerWaalsContact CG-O 3.26Å; R428-V464 WeakPolarHBondContact CG-O 3.31Å; T431-V464 HydrophobicContact CG2-CG1 4.27Å; T431-V464 HydrophobicContact CG2-CG2 4.31Å; R432-V464 HydrophobicContact CG-CG2 4.21Å; I459-V464 HydrophobicContact CG2-CG1 3.47Å; I459-V464 VanDerWaalsContact CG2-CG1 3.47Å; A462-V464 VanDerWaalsContact C-N 3.32Å; A462-V464 PolarHBondContact O-N 2.87Å; V464-G466 PolarHBondContact O-N 3.46Å; V464-W467 VanDerWaalsContact C-CD1 3.5Å; V464-W467 HydrophobicContact CB-CD2 4.21Å; V464-W467 HydrophobicContact CB-CE3 4.4Å; V464-W467 HydrophobicContact CB-CG 4.33Å; V464-W467 HydrophobicContact CG1-CD2 4.24Å; V464-W467 HydrophobicContact CG1-CE3 4.04Å; V464-W467 HydrophobicContact CG1-CH2 4.42Å; V464-W467 HydrophobicContact CG1-CZ3 4.13Å; V464-W467 WeakPolarHBondContact O-CB 3.26Å; V464-W467 PolarHBondContact O-N 3.31Å
465R86.7Confident93Very high68 Ų6843.4 Ų43.426%0.25726%0.256SS..THydrogen-bonded Turntrans-68.8128.3-178.1-178.6179.4-76.8148.3-0.6110.9H255 G256 Q257 A462 D463 W467H255-R465 PolarHBondContact O-NH1 3.19Å; H255-R465 PolarHBondContact O-NH2 3.48Å; G256-R465 PolarHBondContact O-NH1 3.08Å; Q257-R465 VanDerWaalsContact N-NH1 3.18Å; A462-R465 VanDerWaalsContact O-CB 3.3Å; A462-R465 WeakPolarHBondContact O-CB 3.43Å; A462-R465 PolarHBondContact O-N 3.15Å; D463-R465 VanDerWaalsContact C-N 3.29Å; D463-R465 PolarHBondContact O-N 2.98Å; R465-W467 PolarHBondContact O-N 3.48Å
466G88.1Confident93Very high41 Ų4140.3 Ų40.342%0.42324%0.243SC..THydrogen-bonded Turntrans78.53.3177.600000114.1V464 V468 G469V464-G466 PolarHBondContact O-N 3.46Å; G466-V468 VanDerWaalsContact C-N 3.28Å; G466-V468 PolarHBondContact O-N 2.89Å; G466-G469 PolarHBondContact O-N 3.41Å
467W93.8Very high93Very high29 Ų2939.9 Ų39.911%0.1124%0.237CC..G310 helixtrans-68.2-25.2-177.8-79.136.5000113N424 I427 R428 D463 V464 R465 G469 M470 M474 L475N424-W467 HydrophobicContact CB-CB 4.09Å; N424-W467 HydrophobicContact CB-CE3 4.45Å; N424-W467 WeakPolarHBondContact CB-O 3.39Å; I427-W467 HydrophobicContact CB-CE3 4.24Å; I427-W467 HydrophobicContact CB-CZ3 4.25Å; I427-W467 HydrophobicContact CD1-CZ3 4.24Å; I427-W467 HydrophobicContact CG2-CE3 3.96Å; I427-W467 HydrophobicContact CG2-CZ3 3.62Å; R428-W467 HydrophobicContact CB-CB 4.1Å; D463-W467 PolarHBondContact O-NE1 3.13Å; V464-W467 VanDerWaalsContact C-CD1 3.5Å; V464-W467 HydrophobicContact CB-CD2 4.21Å; V464-W467 HydrophobicContact CB-CE3 4.4Å; V464-W467 HydrophobicContact CB-CG 4.33Å; V464-W467 HydrophobicContact CG1-CD2 4.24Å; V464-W467 HydrophobicContact CG1-CE3 4.04Å; V464-W467 HydrophobicContact CG1-CH2 4.42Å; V464-W467 HydrophobicContact CG1-CZ3 4.13Å; V464-W467 WeakPolarHBondContact O-CB 3.26Å; V464-W467 PolarHBondContact O-N 3.31Å; R465-W467 PolarHBondContact O-N 3.48Å; W467-G469 PolarHBondContact O-N 2.84Å; W467-M470 HydrophobicContact CB-CE 4.11Å; W467-M470 HydrophobicContact CD2-CE 4.35Å; W467-M470 HydrophobicContact CG-CE 3.59Å; W467-M470 PolarHBondContact O-N 3.11Å; W467-M470 VanDerWaalsContact O-N 3.14Å; W467-M474 HydrophobicContact CD2-CB 3.93Å; W467-M474 HydrophobicContact CD2-CG 3.76Å; W467-M474 HydrophobicContact CE3-CB 3.72Å; W467-M474 HydrophobicContact CE3-CG 3.95Å; W467-M474 HydrophobicContact CG-CG 4.33Å; W467-M474 HydrophobicContact CH2-CB 3.33Å; W467-M474 HydrophobicContact CH2-CG 4.22Å; W467-M474 HydrophobicContact CZ2-CB 3.54Å; W467-M474 HydrophobicContact CZ2-CE 4.26Å; W467-M474 HydrophobicContact CZ2-CG 4.03Å; W467-M474 HydrophobicContact CZ3-CB 3.41Å; W467-M474 VanDerWaalsContact CZ3-CB 3.41Å; W467-M474 HydrophobicContact CZ3-CG 4.17Å; W467-L475 HydrophobicContact CH2-CD2 4.41Å; W467-L475 HydrophobicContact CZ3-CG 4.49Å
468V93.3Very high92.9Very high2 Ų242.5 Ų42.51%0.01224%0.239CC..G310 helixtrans-59.5-35.2178.2170.70000112.2A224 E226 A425 R428 G466 P677 R682A224-V468 VanDerWaalsContact O-CG1 3.23Å; A224-V468 WeakPolarHBondContact O-CG1 3.44Å; E226-V468 HydrophobicContact CG-CB 3.7Å; E226-V468 HydrophobicContact CG-CG1 4.3Å; E226-V468 HydrophobicContact CG-CG2 3.53Å; E226-V468 WeakPolarHBondContact OE1-CB 3.34Å; E226-V468 WeakPolarHBondContact OE1-CG2 3.36Å; E226-V468 PolarHBondContact OE1-N 2.94Å; A425-V468 HydrophobicContact CB-CB 4.24Å; A425-V468 HydrophobicContact CB-CG1 4.12Å; A425-V468 HydrophobicContact CB-CG2 3.97Å; R428-V468 HydrophobicContact CB-CG2 4.23Å; R428-V468 HydrophobicContact CG-CG2 4.05Å; G466-V468 VanDerWaalsContact C-N 3.28Å; G466-V468 PolarHBondContact O-N 2.89Å; V468-P677 WeakPolarHBondContact O-CG 3.41Å; V468-R682 HydrophobicContact CG1-CB 3.91Å; V468-R682 HydrophobicContact CG1-CG 4.09Å; V468-R682 WeakPolarHBondContact O-CG 3.29Å
469G92.7Very high92.9Very high20 Ų2045.6 Ų45.621%0.20625%0.247CC..G310 helixtrans-85.9-1.2-18000000115.4G466 W467 P677G466-G469 PolarHBondContact O-N 3.41Å; W467-G469 PolarHBondContact O-N 2.84Å; G469-P677 WeakPolarHBondContact O-CD 3.35Å
470M94.3Very high92.9Very high68 Ų6848.7 Ų48.734%0.33526%0.264SS..  trans-99.5131.9-175.2-64.8-163.5-72.900111.8N424 W467 M474N424-M470 PolarHBondContact ND2-O 3.41Å; W467-M470 HydrophobicContact CB-CE 4.11Å; W467-M470 HydrophobicContact CD2-CE 4.35Å; W467-M470 HydrophobicContact CG-CE 3.59Å; W467-M470 PolarHBondContact O-N 3.11Å; W467-M470 VanDerWaalsContact O-N 3.14Å; M470-M474 HydrophobicContact CE-CE 4.03Å; M470-M474 HydrophobicContact CE-CG 3.92Å; M470-M474 HydrophobicContact CE-SD 3.77Å; M470-M474 HydrophobicContact SD-SD 4.16Å
471G94.6Very high93.1Very high21 Ų2145.6 Ų45.622%0.21625%0.251CS..  trans-75.6-174.1166.900000112.9N424 D675N424-G471 PolarHBondContact ND2-O 2.93Å; G471-D675 VanDerWaalsContact CA-O 3.22Å; G471-D675 WeakPolarHBondContact CA-O 3.31Å; G471-D675 PolarHBondContact N-O 3.11Å
472G94.2Very high93.6Very high32 Ų3243.3 Ų43.333%0.3324%0.242SC..SBendtrans67.5-149.6-178.600000113.5N424N424-G472 PolarHBondContact ND2-O 3.23Å
473S95.7Very high94.1Very high27 Ų2745 Ų4519%0.18925%0.245CC..  trans-141.9110.8-177.6179.10000110.7N415 L475 G476N415-S473 PolarHBondContact ND2-OG 3.21Å; S473-L475 VanDerWaalsContact C-N 3.35Å; S473-L475 PolarHBondContact O-N 2.96Å; S473-G476 PolarHBondContact O-N 3.23Å; S473-G476 VanDerWaalsContact O-N 3.09Å; S473-G476 PolarHBondContact OG-N 3.19Å; S473-G476 PolarHBondContact OG-O 3.33Å
474M95.9Very high94.4Very high90 Ų9044.2 Ų44.244%0.44326%0.257SS..THydrogen-bonded Turntrans-73.3-23.8-176.1-67.1-59.2-62.900114.1N424 W467 M470 G476N424-M474 WeakPolarHBondContact OD1-CG 3.49Å; N424-M474 PolarHBondContact OD1-N 2.93Å; W467-M474 HydrophobicContact CD2-CB 3.93Å; W467-M474 HydrophobicContact CD2-CG 3.76Å; W467-M474 HydrophobicContact CE3-CB 3.72Å; W467-M474 HydrophobicContact CE3-CG 3.95Å; W467-M474 HydrophobicContact CG-CG 4.33Å; W467-M474 HydrophobicContact CH2-CB 3.33Å; W467-M474 HydrophobicContact CH2-CG 4.22Å; W467-M474 HydrophobicContact CZ2-CB 3.54Å; W467-M474 HydrophobicContact CZ2-CE 4.26Å; W467-M474 HydrophobicContact CZ2-CG 4.03Å; W467-M474 HydrophobicContact CZ3-CB 3.41Å; W467-M474 VanDerWaalsContact CZ3-CB 3.41Å; W467-M474 HydrophobicContact CZ3-CG 4.17Å; M470-M474 HydrophobicContact CE-CE 4.03Å; M470-M474 HydrophobicContact CE-CG 3.92Å; M470-M474 HydrophobicContact CE-SD 3.77Å; M470-M474 HydrophobicContact SD-SD 4.16Å; M474-G476 VanDerWaalsContact C-N 3.29Å
475L96.5Very high94.6Very high5 Ų546.1 Ų46.13%0.02627%0.267CS..THydrogen-bonded Turntrans-85.1-4.2170.3-64.3176.4000112.3I413 I427 H445 E446 I459 W467 S473I413-L475 HydrophobicContact CG2-CD1 3.93Å; I427-L475 HydrophobicContact CD1-CD1 3.9Å; I427-L475 HydrophobicContact CD1-CG 4.15Å; I427-L475 HydrophobicContact CG1-CD1 4.41Å; I427-L475 HydrophobicContact CG2-CD1 4.41Å; H445-L475 CarbonylContact C-O 3.57Å; H445-L475 WeakPolarHBondContact CA-O 3.29Å; E446-L475 PolarHBondContact N-O 3.4Å; I459-L475 HydrophobicContact CD1-CD1 4.19Å; I459-L475 HydrophobicContact CD1-CD2 3.95Å; W467-L475 HydrophobicContact CH2-CD2 4.41Å; W467-L475 HydrophobicContact CZ3-CG 4.49Å; S473-L475 VanDerWaalsContact C-N 3.35Å; S473-L475 PolarHBondContact O-N 2.96Å
476G96.6Very high95Very high13 Ų1343.7 Ų43.713%0.13426%0.263CS..  trans70.4165.2-165.400000112.4N415 E446 S473 M474N415-G476 WeakPolarHBondContact CB-O 3.3Å; E446-G476 WeakPolarHBondContact OE2-CA 3.34Å; S473-G476 PolarHBondContact O-N 3.23Å; S473-G476 VanDerWaalsContact O-N 3.09Å; S473-G476 PolarHBondContact OG-N 3.19Å; S473-G476 PolarHBondContact OG-O 3.33Å; M474-G476 VanDerWaalsContact C-N 3.29Å
477T96.8Very high95.4Very high16 Ų1642.8 Ų42.810%0.09825%0.248CC..  trans-151.4145.3-178.4-176.10000110.4V416 G417 P419 E446V416-T477 PolarHBondContact N-OG1 2.98Å; G417-T477 PolarHBondContact N-OG1 3.43Å; G417-T477 VanDerWaalsContact O-CG2 3.26Å; G417-T477 WeakPolarHBondContact O-CG2 3.2Å; G417-T477 PolarHBondContact O-OG1 3.1Å; P419-T477 HydrophobicContact CB-CG2 4.32Å; E446-T477 PolarHBondContact OE2-N 3Å
478R96Very high95.5Very high110 Ų11045.2 Ų45.242%0.41526%0.263SS..BIsolated β-bridgetrans-140.1162.1178.4-67.2-65.5-177.8-83.1-11110V416 G417 E446V416-R478 CarbonylContact C-O 3.12Å; V416-R478 WeakPolarHBondContact CA-O 3.45Å; G417-R478 PolarHBondContact N-O 3.4Å; E446-R478 HydrophobicContact CB-CG 4.34Å; E446-R478 WeakPolarHBondContact O-CG 3.44Å; E446-R478 IonicContact OE1-CZ 2.7Å; E446-R478 IonicContact OE1-NH1 3.84Å; E446-R478 IonicContact OE1-NH2 2.93Å; E446-R478 PolarHBondContact OE1-NH2 3.14Å; E446-R478 IonicContact OE2-CZ 3.75Å; E446-R478 IonicContact OE2-NE 3.55Å; E446-R478 IonicContact OE2-NH1 3.51Å; E446-R478 PolarHBondContact OE2-NH1 3.23Å; E446-R478 IonicContact OE2-NH2 3.69Å; E446-R478 PolarHBondContact OE2-NH2 2.94Å; E446-R478 VanDerWaalsContact OE2-NH2 3.08Å
479R95.7Very high95.7Very high141 Ų14150.2 Ų50.253%0.53229%0.285SS..  trans-94-6-179.1-68.3-178.6-175.7-119.810.5113.8T481 E509R479-T481 PolarHBondContact O-N 2.94Å; R479-E509 HydrophobicContact CB-CG 4.13Å; R479-E509 HydrophobicContact CG-CG 4.31Å; R479-E509 IonicContact CZ-OE1 2.96Å; R479-E509 IonicContact NE-OE1 2.99Å; R479-E509 IonicContact NH1-OE1 3.07Å; R479-E509 PolarHBondContact NH1-OE1 3.4Å
480D95.3Very high96Very high71 Ų7149.2 Ų49.238%0.3828%0.275SS..  trans-65.4132.1-176.2-51-67.4000111.1S449 L485S449-D480 WeakPolarHBondContact CB-OD2 3.48Å; S449-D480 WeakPolarHBondContact OG-CB 3.23Å; S449-D480 PolarHBondContact OG-OD2 3.3Å; D480-L485 HydrophobicContact CB-CD1 3.85Å; D480-L485 HydrophobicContact CB-CD2 4.12Å; D480-L485 HydrophobicContact CB-CG 4Å
481T95.7Very high96.1Very high25 Ų2546 Ų4615%0.15326%0.259CS..  trans-94.9155.4179.174.60000112R479 N483 G484 L485 E516R479-T481 PolarHBondContact O-N 2.94Å; T481-N483 VanDerWaalsContact C-N 3.33Å; T481-N483 PolarHBondContact O-N 3.32Å; T481-G484 PolarHBondContact O-N 3.31Å; T481-G484 VanDerWaalsContact O-N 3.09Å; T481-G484 PolarHBondContact OG1-N 3.24Å; T481-L485 PolarHBondContact O-N 3.45Å; T481-L485 VanDerWaalsContact O-N 3.12Å; T481-E516 WeakPolarHBondContact CB-OE1 3.25Å; T481-E516 VanDerWaalsContact CB-OE2 3.26Å; T481-E516 WeakPolarHBondContact CB-OE2 3.25Å; T481-E516 PolarHBondContact OG1-OE1 3.04Å; T481-E516 PolarHBondContact OG1-OE2 2.6Å
482P96.8Very high96.2Very high0 Ų047.5 Ų47.50%027%0.269CS..Hα-helixtrans-48.2-47.1175.3-30.633.4000114.7F448 L485 G486 I487 V490 C513 E516 L517F448-P482 HydrophobicContact CD1-CG 4.36Å; F448-P482 HydrophobicContact CD2-CG 4.04Å; F448-P482 HydrophobicContact CE1-CG 4.38Å; F448-P482 HydrophobicContact CE2-CG 4.06Å; F448-P482 HydrophobicContact CG-CG 4.21Å; F448-P482 HydrophobicContact CZ-CG 4.24Å; P482-L485 PolarHBondContact O-N 3.3Å; P482-G486 CarbonylContact O-C 3.59Å; P482-G486 PolarHBondContact O-N 3.07Å; P482-I487 HydrophobicContact CB-CG1 4.38Å; P482-I487 PolarHBondContact O-N 3.48Å; P482-I487 VanDerWaalsContact O-N 3.09Å; P482-V490 HydrophobicContact CB-CG2 4.24Å; P482-C513 WeakPolarHBondContact CD-SG 3.44Å; P482-C513 HydrophobicContact CG-CB 4.21Å; P482-E516 HydrophobicContact CB-CB 4.44Å; P482-E516 WeakPolarHBondContact CD-OE2 3.38Å; P482-E516 VanDerWaalsContact N-OE2 3.14Å; P482-L517 HydrophobicContact CB-CD2 4.23Å; P482-L517 HydrophobicContact CG-CD2 3.97Å; P482-L517 HydrophobicContact CG-CG 4.01Å
483N95.8Very high96.3Very high82 Ų8247.9 Ų47.944%0.43926%0.262SS..Hα-helixtrans-66-39.6178-76.1-24.4000111.8T481 L485 G486 E516T481-N483 VanDerWaalsContact C-N 3.33Å; T481-N483 PolarHBondContact O-N 3.32Å; N483-L485 PolarHBondContact O-N 3.39Å; N483-G486 PolarHBondContact O-N 3.19Å; N483-E516 HydrophobicContact CB-CG 4.43Å; N483-E516 WeakPolarHBondContact CB-OE2 3Å; N483-E516 PolarHBondContact N-OE2 2.82Å; N483-E516 VanDerWaalsContact ND2-CD 3.28Å; N483-E516 WeakPolarHBondContact ND2-CG 3.46Å; N483-E516 PolarHBondContact ND2-OE1 2.98Å
484G95.5Very high96.3Very high68 Ų6846.8 Ų46.870%0.70125%0.254SS*.Hα-helixtrans-61.1-30.6176.800000113.5T481T481-G484 PolarHBondContact O-N 3.31Å; T481-G484 VanDerWaalsContact O-N 3.09Å; T481-G484 PolarHBondContact OG1-N 3.24Å
485L96Very high96.3Very high40 Ų4049.3 Ų49.321%0.20926%0.262CS..Hα-helixtrans-92.3-17.4179.2-65.4170.5000114F448 V452 D480 T481 P482 N483 K489F448-L485 VanDerWaalsContact C-CD1 3.41Å; F448-L485 HydrophobicContact CB-CD1 3.67Å; V452-L485 HydrophobicContact CG2-CB 4.41Å; V452-L485 HydrophobicContact CG2-CD1 4.47Å; D480-L485 HydrophobicContact CB-CD1 3.85Å; D480-L485 HydrophobicContact CB-CD2 4.12Å; D480-L485 HydrophobicContact CB-CG 4Å; T481-L485 PolarHBondContact O-N 3.45Å; T481-L485 VanDerWaalsContact O-N 3.12Å; P482-L485 PolarHBondContact O-N 3.3Å; N483-L485 PolarHBondContact O-N 3.39Å; L485-K489 PolarHBondContact O-NZ 2.73Å
486G95.8Very high96.2Very high16 Ų1654.7 Ų54.717%0.16529%0.287CS..  trans98.9102.1-167.300000110.6P482 N483 D488 K489 V490P482-G486 CarbonylContact O-C 3.59Å; P482-G486 PolarHBondContact O-N 3.07Å; N483-G486 PolarHBondContact O-N 3.19Å; G486-D488 WeakPolarHBondContact CA-OD1 3.42Å; G486-D488 PolarHBondContact O-N 2.82Å; G486-K489 WeakPolarHBondContact O-CB 3.44Å; G486-K489 PolarHBondContact O-N 3.04Å; G486-V490 PolarHBondContact O-N 2.69Å
487I96.4Very high96.2Very high22 Ų2255.3 Ų55.311%0.11329%0.287CS..Hα-helixtrans-61.3-27.2-177.3-167.9166.4000112.4P482 K489 V490 A491 E516 Y524 L527P482-I487 HydrophobicContact CB-CG1 4.38Å; P482-I487 PolarHBondContact O-N 3.48Å; P482-I487 VanDerWaalsContact O-N 3.09Å; I487-K489 VanDerWaalsContact C-N 3.33Å; I487-K489 PolarHBondContact O-N 2.77Å; I487-V490 PolarHBondContact O-N 2.82Å; I487-A491 WeakPolarHBondContact O-CB 3.24Å; I487-A491 PolarHBondContact O-N 3.47Å; I487-E516 VanDerWaalsContact CD1-O 3.32Å; I487-E516 WeakPolarHBondContact CD1-O 3.46Å; I487-Y524 HydrophobicContact CG1-CE2 4.45Å; I487-Y524 HydrophobicContact CG2-CE2 3.66Å; I487-L527 HydrophobicContact CD1-CD1 4.17Å; I487-L527 HydrophobicContact CG1-CD1 4.2Å
488D96.9Very high96Very high80 Ų8061.8 Ų61.843%0.42831%0.314SS..Hα-helixtrans-60.1-41.1172.562.1-49.2000112.2G486 A492 Y524G486-D488 WeakPolarHBondContact CA-OD1 3.42Å; G486-D488 PolarHBondContact O-N 2.82Å; D488-A492 WeakPolarHBondContact O-CB 3.16Å; D488-A492 PolarHBondContact O-N 2.9Å; D488-Y524 HydrophobicContact CB-CE1 4Å; D488-Y524 WeakPolarHBondContact CB-OH 3.28Å
489K97.3Very high95.9Very high107 Ų10757.1 Ų57.147%0.46530%0.298SS..Hα-helixtrans-71.1-38.8177.9-58.4177.5-167.1155.20111.4V452 L485 G486 I487 A492 K493V452-K489 HydrophobicContact CG1-CB 4.1Å; V452-K489 HydrophobicContact CG1-CD 4.07Å; V452-K489 HydrophobicContact CG2-CB 4.17Å; L485-K489 PolarHBondContact O-NZ 2.73Å; G486-K489 WeakPolarHBondContact O-CB 3.44Å; G486-K489 PolarHBondContact O-N 3.04Å; I487-K489 VanDerWaalsContact C-N 3.33Å; I487-K489 PolarHBondContact O-N 2.77Å; K489-A492 PolarHBondContact O-N 3.31Å; K489-K493 WeakPolarHBondContact O-CG 3.11Å; K489-K493 PolarHBondContact O-N 2.82Å
490V97.5Very high95.7Very high0 Ų051.7 Ų51.70%028%0.281CS..Hα-helixtrans-62.5-49.2175.3173.90000110.1F448 L451 V452 P482 G486 I487 A492 K493 F494 L517F448-V490 HydrophobicContact CD1-CG1 3.98Å; F448-V490 HydrophobicContact CD1-CG2 4.49Å; F448-V490 HydrophobicContact CE1-CG1 4.21Å; L451-V490 HydrophobicContact CD2-CG1 4.05Å; V452-V490 HydrophobicContact CG2-CG2 3.83Å; P482-V490 HydrophobicContact CB-CG2 4.24Å; G486-V490 PolarHBondContact O-N 2.69Å; I487-V490 PolarHBondContact O-N 2.82Å; V490-A492 PolarHBondContact O-N 3.03Å; V490-K493 PolarHBondContact O-N 2.64Å; V490-K493 VanDerWaalsContact O-N 3.1Å; V490-F494 HydrophobicContact CG1-CD2 4.08Å; V490-F494 HydrophobicContact CG1-CE2 3.67Å; V490-F494 HydrophobicContact CG1-CZ 4.43Å; V490-F494 VanDerWaalsContact O-CD2 3.26Å; V490-F494 WeakPolarHBondContact O-CD2 3.37Å; V490-F494 PolarHBondContact O-N 3.35Å; V490-L517 HydrophobicContact CG1-CD2 4.05Å
491A96.5Very high95.5Very high0 Ų048.3 Ų48.30%026%0.263CS..Hα-helixtrans-58.6-45.9176.700000111.9I487 K493 F494 K495 Y524 E526 L527I487-A491 WeakPolarHBondContact O-CB 3.24Å; I487-A491 PolarHBondContact O-N 3.47Å; A491-K493 PolarHBondContact O-N 2.84Å; A491-K493 VanDerWaalsContact O-N 3.17Å; A491-F494 WeakPolarHBondContact O-CB 3.49Å; A491-F494 PolarHBondContact O-N 3.5Å; A491-K495 PolarHBondContact O-N 2.83Å; A491-K495 VanDerWaalsContact O-N 3.08Å; A491-Y524 HydrophobicContact CB-CD1 3.71Å; A491-Y524 HydrophobicContact CB-CD2 4.46Å; A491-Y524 HydrophobicContact CB-CE1 4.46Å; A491-Y524 HydrophobicContact CB-CG 3.72Å; A491-E526 HydrophobicContact CB-CG 3.76Å; A491-E526 WeakPolarHBondContact CB-OE1 3.31Å; A491-E526 WeakPolarHBondContact O-CG 3.23Å; A491-L527 HydrophobicContact CB-CD1 4.46Å; A491-L527 HydrophobicContact CB-CD2 4.25Å; A491-L527 HydrophobicContact CB-CG 4.25Å
492A97.1Very high95.5Very high53 Ų5347.1 Ų47.144%0.43826%0.256SS..Hα-helixtrans-54.6-38.9175.500000112.6D488 K489 V490 K495 E496D488-A492 WeakPolarHBondContact O-CB 3.16Å; D488-A492 PolarHBondContact O-N 2.9Å; K489-A492 PolarHBondContact O-N 3.31Å; V490-A492 PolarHBondContact O-N 3.03Å; A492-K495 PolarHBondContact O-N 2.98Å; A492-E496 WeakPolarHBondContact O-CB 3.39Å; A492-E496 PolarHBondContact O-N 3.38Å
493K97.4Very high95.4Very high40 Ų4047.1 Ų47.117%0.17426%0.256CS..Hα-helixtrans-72.9-34.7176.5-71.4-66.2-175.8-169.30113.9L451 K489 V490 A491 K495 E496 L497L451-K493 HydrophobicContact CD1-CB 3.95Å; L451-K493 HydrophobicContact CD2-CB 4.27Å; L451-K493 HydrophobicContact CG-CB 3.82Å; L451-K493 HydrophobicContact CG-CG 4.38Å; L451-K493 WeakPolarHBondContact O-CG 3.21Å; K489-K493 WeakPolarHBondContact O-CG 3.11Å; K489-K493 PolarHBondContact O-N 2.82Å; V490-K493 PolarHBondContact O-N 2.64Å; V490-K493 VanDerWaalsContact O-N 3.1Å; A491-K493 PolarHBondContact O-N 2.84Å; A491-K493 VanDerWaalsContact O-N 3.17Å; K493-K495 VanDerWaalsContact C-N 3.27Å; K493-K495 PolarHBondContact O-N 3.17Å; K493-E496 WeakPolarHBondContact CD-OE2 3.41Å; K493-E496 WeakPolarHBondContact CE-OE2 3.2Å; K493-E496 VanDerWaalsContact NZ-CD 3.26Å; K493-E496 IonicContact NZ-OE1 3.04Å; K493-E496 PolarHBondContact NZ-OE1 2.74Å; K493-E496 VanDerWaalsContact NZ-OE1 3.07Å; K493-E496 IonicContact NZ-OE2 3.07Å; K493-E496 PolarHBondContact NZ-OE2 3.3Å; K493-E496 PolarHBondContact O-N 2.98Å; K493-L497 WeakPolarHBondContact O-CB 3.5Å; K493-L497 WeakPolarHBondContact O-CG 3.39Å; K493-L497 PolarHBondContact O-N 2.97Å
494F95.6Very high95.3Very high3 Ų343.2 Ų43.21%0.01324%0.235CC..Hα-helixtrans-59.4-43172.6-84.5-135.9000110.7F448 L451 V490 A491 K498 L499 L502 L517 L527 I529F448-F494 HydrophobicContact CE1-CE2 4.25Å; F448-F494 HydrophobicContact CE1-CZ 4.3Å; L451-F494 HydrophobicContact CD2-CD2 3.86Å; L451-F494 HydrophobicContact CD2-CE2 3.54Å; V490-F494 HydrophobicContact CG1-CD2 4.08Å; V490-F494 HydrophobicContact CG1-CE2 3.67Å; V490-F494 HydrophobicContact CG1-CZ 4.43Å; V490-F494 VanDerWaalsContact O-CD2 3.26Å; V490-F494 WeakPolarHBondContact O-CD2 3.37Å; V490-F494 PolarHBondContact O-N 3.35Å; A491-F494 WeakPolarHBondContact O-CB 3.49Å; A491-F494 PolarHBondContact O-N 3.5Å; F494-K498 PolarHBondContact O-N 3.39Å; F494-L499 HydrophobicContact CD1-CD1 4.16Å; F494-L499 HydrophobicContact CD2-CD1 4.15Å; F494-L499 HydrophobicContact CE1-CD1 4.39Å; F494-L499 HydrophobicContact CE2-CD1 4.38Å; F494-L499 HydrophobicContact CG-CD1 4.04Å; F494-L499 PolarHBondContact O-N 3.28Å; F494-L502 HydrophobicContact CE1-CD2 3.98Å; F494-L502 HydrophobicContact CZ-CD1 4.35Å; F494-L502 HydrophobicContact CZ-CD2 3.67Å; F494-L517 HydrophobicContact CZ-CD1 4.46Å; F494-L517 HydrophobicContact CZ-CD2 4.32Å; F494-L527 HydrophobicContact CD1-CD2 3.71Å; F494-L527 HydrophobicContact CE1-CD2 3.94Å; F494-L527 HydrophobicContact CG-CD2 4.06Å; F494-L527 HydrophobicContact CZ-CD2 4.48Å; F494-I529 HydrophobicContact CD1-CD1 3.78Å; F494-I529 HydrophobicContact CE1-CD1 3.9Å
495K94.5Very high95.4Very high144 Ų14440 Ų4063%0.62620%0.202SC*.Hα-helixtrans-65.7-43.9175.6-174.9175-178173.50112.6A491 A492 K493 K498 E526A491-K495 PolarHBondContact O-N 2.83Å; A491-K495 VanDerWaalsContact O-N 3.08Å; A492-K495 PolarHBondContact O-N 2.98Å; K493-K495 VanDerWaalsContact C-N 3.27Å; K493-K495 PolarHBondContact O-N 3.17Å; K495-K498 PolarHBondContact O-N 3Å; K495-E526 HydrophobicContact CB-CB 4.15Å; K495-E526 HydrophobicContact CB-CG 4.49Å
496E96Very high95.3Very high117 Ų11738.1 Ų38.155%0.54719%0.192SC..Hα-helixtrans-59.5-46.8176.9-175.8-176.8138.100111.8A492 K493 K498A492-E496 WeakPolarHBondContact O-CB 3.39Å; A492-E496 PolarHBondContact O-N 3.38Å; K493-E496 WeakPolarHBondContact CD-OE2 3.41Å; K493-E496 WeakPolarHBondContact CE-OE2 3.2Å; K493-E496 VanDerWaalsContact NZ-CD 3.26Å; K493-E496 IonicContact NZ-OE1 3.04Å; K493-E496 PolarHBondContact NZ-OE1 2.74Å; K493-E496 VanDerWaalsContact NZ-OE1 3.07Å; K493-E496 IonicContact NZ-OE2 3.07Å; K493-E496 PolarHBondContact NZ-OE2 3.3Å; K493-E496 PolarHBondContact O-N 2.98Å; E496-K498 VanDerWaalsContact C-N 3.26Å; E496-K498 PolarHBondContact O-N 3.09Å
497L95.3Very high95.3Very high27 Ų2737.5 Ų37.514%0.14119%0.185CC..Hα-helixtrans-75.7-14.5180-67.6176.2000113.4R410 I442 L451 A456 K493 L499R410-L497 WeakPolarHBondContact CD-O 3.21Å; R410-L497 PolarHBondContact NH1-O 2.98Å; I442-L497 HydrophobicContact CG2-CD1 4.38Å; L451-L497 HydrophobicContact CD1-CD1 3.55Å; A456-L497 HydrophobicContact CB-CD1 3.84Å; A456-L497 HydrophobicContact CB-CD2 4.26Å; K493-L497 WeakPolarHBondContact O-CB 3.5Å; K493-L497 WeakPolarHBondContact O-CG 3.39Å; K493-L497 PolarHBondContact O-N 2.97Å; L497-L499 HydrophobicContact CB-CD2 3.9Å; L497-L499 HydrophobicContact CB-CG 3.94Å
498K93.2Very high95.2Very high151 Ų15136.4 Ų36.466%0.65718%0.18SC*.THydrogen-bonded Turntrans5748.1-175.4-56.1-179.7179-1770112.1F494 K495 E496F494-K498 PolarHBondContact O-N 3.39Å; K495-K498 PolarHBondContact O-N 3Å; E496-K498 VanDerWaalsContact C-N 3.26Å; E496-K498 PolarHBondContact O-N 3.09Å
499L92.8Very high95.1Very high13 Ų1333.2 Ų33.27%0.06816%0.162CC..EExtended strand (participates in β ladder)trans-67.7133.1178.4-58.3-176.1000110.2R410 I442 F494 L497 I529R410-L499 HydrophobicContact CB-CD2 4.5Å; I442-L499 HydrophobicContact CB-CD2 4.34Å; I442-L499 HydrophobicContact CG1-CD2 4.3Å; F494-L499 HydrophobicContact CD1-CD1 4.16Å; F494-L499 HydrophobicContact CD2-CD1 4.15Å; F494-L499 HydrophobicContact CE1-CD1 4.39Å; F494-L499 HydrophobicContact CE2-CD1 4.38Å; F494-L499 HydrophobicContact CG-CD1 4.04Å; F494-L499 PolarHBondContact O-N 3.28Å; L497-L499 HydrophobicContact CB-CD2 3.9Å; L497-L499 HydrophobicContact CB-CG 3.94Å; L499-I529 HydrophobicContact CB-CD1 3.98Å
500S91.5Very high95Very high27 Ų2728.1 Ų28.119%0.18914%0.14CC..EExtended strand (participates in β ladder)trans-104.7-14.6174.7-46.60000111.9L409 R410 P530L409-S500 WeakPolarHBondContact CD2-OG 3.3Å; R410-S500 WeakPolarHBondContact O-CB 2.95Å; R410-S500 PolarHBondContact O-N 3.47Å; S500-P530 WeakPolarHBondContact O-CD 3.33Å
501G92.2Very high94.7Very high0 Ų028.1 Ų28.10%014%0.14CC..EExtended strand (participates in β ladder)trans-161.2166.5171.700000111R410 I411 G412 P530R410-G501 PolarHBondContact O-N 3.47Å; I411-G501 WeakPolarHBondContact CA-O 3.37Å; G412-G501 PolarHBondContact N-O 3.5Å; G501-P530 CarbonylContact C-O 3.56Å; G501-P530 WeakPolarHBondContact CA-O 3.32Å
502L94.5Very high94.6Very high0 Ų030.5 Ų30.50%015%0.151CC..EExtended strand (participates in β ladder)trans-137.1138.4179.3-176.270.2000110.9G412 V414 I444 F494 I504 L517 I529 P530 M531 A532G412-L502 CarbonylContact O-C 3.58Å; G412-L502 WeakPolarHBondContact O-CA 3.26Å; V414-L502 HydrophobicContact CG1-CD1 4.17Å; I444-L502 HydrophobicContact CD1-CD1 4.09Å; F494-L502 HydrophobicContact CE1-CD2 3.98Å; F494-L502 HydrophobicContact CZ-CD1 4.35Å; F494-L502 HydrophobicContact CZ-CD2 3.67Å; L502-I504 HydrophobicContact CD2-CD1 3.82Å; L502-I504 HydrophobicContact CD2-CG1 3.65Å; L502-I504 HydrophobicContact CG-CG1 3.94Å; L502-L517 HydrophobicContact CD2-CD1 3.89Å; L502-I529 HydrophobicContact CB-CD1 4.39Å; L502-P530 PolarHBondContact N-O 3.33Å; L502-M531 HydrophobicContact CB-CB 4.43Å; L502-M531 HydrophobicContact CB-CG 4.02Å; L502-M531 HydrophobicContact CD2-CG 4.42Å; L502-M531 HydrophobicContact CD2-SD 4.07Å; L502-M531 CarbonylContact O-C 3.35Å; L502-M531 WeakPolarHBondContact O-CA 3.44Å; L502-A532 PolarHBondContact O-N 3.45Å
503L94.8Very high94.4Very high0 Ų028 Ų280%013%0.13CC..EExtended strand (participates in β ladder)trans-113.2120.6163.8-176.565.6000109.7G412 I413 V414 V426 F430 I505 V534 A692 L717G412-L503 PolarHBondContact O-N 2.94Å; I413-L503 WeakPolarHBondContact CA-O 3.42Å; I413-L503 HydrophobicContact CD1-CD2 3.9Å; I413-L503 HydrophobicContact CG1-CB 4.3Å; I413-L503 HydrophobicContact CG1-CD2 4.26Å; V414-L503 PolarHBondContact N-O 3.39Å; V426-L503 HydrophobicContact CG1-CD2 4.06Å; F430-L503 HydrophobicContact CB-CD2 4.19Å; F430-L503 HydrophobicContact CD1-CD2 4.06Å; F430-L503 HydrophobicContact CD2-CD2 3.54Å; F430-L503 HydrophobicContact CE1-CB 4.31Å; F430-L503 HydrophobicContact CE1-CD2 4.31Å; F430-L503 HydrophobicContact CE2-CB 4.34Å; F430-L503 HydrophobicContact CE2-CD2 3.81Å; F430-L503 HydrophobicContact CG-CD2 3.65Å; F430-L503 HydrophobicContact CZ-CB 4.06Å; F430-L503 HydrophobicContact CZ-CD2 4.18Å; L503-I505 HydrophobicContact CD2-CD1 4.18Å; L503-I505 HydrophobicContact CD2-CG1 4.2Å; L503-I505 HydrophobicContact CG-CG1 4.13Å; L503-V534 HydrophobicContact CD1-CG2 4Å; L503-A692 HydrophobicContact CD1-CB 3.96Å; L503-A692 HydrophobicContact CD2-CB 4.49Å; L503-L717 HydrophobicContact CD1-CD1 4.41Å
504I95.1Very high94Very high0 Ų026 Ų260%012%0.122CC..EExtended strand (participates in β ladder)trans-101.8130.4172.8-48-176.3000108.2V414 V416 F448 L502 A510 M514 L517 A532 M533 V534V414-I504 HydrophobicContact CG1-CB 4.26Å; V414-I504 HydrophobicContact CG1-CG1 3.99Å; V414-I504 HydrophobicContact CG1-CG2 4.12Å; V414-I504 CarbonylContact O-C 3.45Å; V414-I504 WeakPolarHBondContact O-CA 3.26Å; V416-I504 HydrophobicContact CB-CG2 4.45Å; V416-I504 HydrophobicContact CG2-CG2 3.99Å; F448-I504 HydrophobicContact CZ-CD1 4.25Å; L502-I504 HydrophobicContact CD2-CD1 3.82Å; L502-I504 HydrophobicContact CD2-CG1 3.65Å; L502-I504 HydrophobicContact CG-CG1 3.94Å; I504-A510 HydrophobicContact CG2-CB 3.74Å; I504-M514 HydrophobicContact CD1-CB 4.39Å; I504-M514 HydrophobicContact CD1-CE 3.88Å; I504-M514 HydrophobicContact CD1-SD 4.39Å; I504-M514 HydrophobicContact CG1-CE 4.18Å; I504-L517 HydrophobicContact CD1-CD1 3.82Å; I504-A532 PolarHBondContact N-O 2.98Å; I504-M533 CarbonylContact O-C 3Å; I504-M533 WeakPolarHBondContact O-CA 3.01Å; I504-V534 PolarHBondContact O-N 3.14Å
505I96Very high93.7Very high0 Ų026.2 Ų26.20%012%0.123CC..EExtended strand (participates in β ladder)trans-120.2126.6176.2-53.1165.5000108.1I413 V414 N415 V416 I423 V426 I427 L503 V534 A536I413-I505 HydrophobicContact CD1-CD1 3.84Å; I413-I505 HydrophobicContact CG1-CD1 4.03Å; V414-I505 PolarHBondContact O-N 2.87Å; N415-I505 CarbonylContact C-O 3.52Å; N415-I505 VanDerWaalsContact CA-O 3.23Å; N415-I505 WeakPolarHBondContact CA-O 3.23Å; V416-I505 PolarHBondContact N-O 2.91Å; I423-I505 HydrophobicContact CB-CG2 4.37Å; I423-I505 HydrophobicContact CG1-CG2 3.89Å; I423-I505 HydrophobicContact CG2-CG2 4.1Å; V426-I505 HydrophobicContact CB-CD1 3.88Å; V426-I505 HydrophobicContact CG1-CD1 3.55Å; V426-I505 HydrophobicContact CG1-CG1 4.12Å; I427-I505 HydrophobicContact CG1-CD1 3.76Å; L503-I505 HydrophobicContact CD2-CD1 4.18Å; L503-I505 HydrophobicContact CD2-CG1 4.2Å; L503-I505 HydrophobicContact CG-CG1 4.13Å; I505-V534 WeakPolarHBondContact CA-O 3.21Å; I505-V534 HydrophobicContact CG1-CB 4.28Å; I505-V534 HydrophobicContact CG2-CB 4.34Å; I505-V534 HydrophobicContact CG2-CG1 4.46Å; I505-A536 HydrophobicContact CG2-CB 3.78Å
506G95.7Very high93.7Very high0 Ų020.7 Ų20.70%010%0.099CC..EExtended strand (participates in β ladder)trans161.6-173.1-179.400000117V416 M533 V534 P535 A536V416-G506 WeakPolarHBondContact O-CA 3.26Å; G506-M533 WeakPolarHBondContact O-CE 3.42Å; G506-V534 PolarHBondContact N-O 3.05Å; G506-P535 CarbonylContact O-C 3.6Å; G506-P535 WeakPolarHBondContact O-CA 3.48Å; G506-A536 CarbonylContact C-O 3.55Å; G506-A536 PolarHBondContact O-N 3.38Å
507G94.8Very high93.5Very high3 Ų315.1 Ų15.13%0.0317%0.073CC..SBendtrans-85.5-148.7-176.100000113.1V416 E509 A510 Y511 A536V416-G507 PolarHBondContact O-N 3.45Å; G507-E509 VanDerWaalsContact C-N 3.3Å; G507-E509 PolarHBondContact O-N 3.46Å; G507-A510 VanDerWaalsContact O-CB 3.27Å; G507-A510 WeakPolarHBondContact O-CB 3.12Å; G507-A510 PolarHBondContact O-N 3.39Å; G507-Y511 PolarHBondContact O-N 2.99Å; G507-A536 WeakPolarHBondContact CA-O 3.34Å; G507-A536 PolarHBondContact N-O 2.94Å
508F94.3Very high93Very high0 Ų014.5 Ų14.50%07%0.071CC..Hα-helixtrans-61.9-35.6-179.7-159.5-85.4000112.9A510 Y511 E512 N541 P543 T740 F742 R745F508-A510 PolarHBondContact O-N 3.41Å; F508-Y511 HydrophobicContact CE2-CD1 4.34Å; F508-Y511 HydrophobicContact CZ-CD1 4.34Å; F508-Y511 WeakPolarHBondContact O-CA 3.16Å; F508-Y511 WeakPolarHBondContact O-CB 3.35Å; F508-Y511 PolarHBondContact O-N 2.95Å; F508-E512 HydrophobicContact CD1-CG 3.88Å; F508-E512 HydrophobicContact CE1-CG 3.85Å; F508-E512 PolarHBondContact O-N 3.04Å; F508-N541 WeakPolarHBondContact CD2-O 3.21Å; F508-P543 HydrophobicContact CE2-CG 4.01Å; F508-T740 HydrophobicContact CE2-CG2 3.68Å; F508-T740 HydrophobicContact CZ-CG2 3.45Å; F508-T740 VanDerWaalsContact CZ-CG2 3.45Å; F508-F742 AromaticContact CE1-CD1 3.9Å; F508-F742 HydrophobicContact CE1-CD1 3.9Å; F508-F742 HydrophobicContact CE1-CE1 4.3Å; F508-F742 AromaticContact CZ-CD1 3.91Å; F508-F742 HydrophobicContact CZ-CD1 3.91Å; F508-F742 HydrophobicContact CZ-CE1 4.21Å; F508-R745 HydrophobicContact CB-CB 4.39Å; F508-R745 HydrophobicContact CD1-CB 3.77Å; F508-R745 HydrophobicContact CD1-CG 3.69Å; F508-R745 HydrophobicContact CD2-CB 3.85Å; F508-R745 HydrophobicContact CE1-CB 3.89Å; F508-R745 HydrophobicContact CE1-CG 3.72Å; F508-R745 VanDerWaalsContact CE2-C 3.44Å; F508-R745 HydrophobicContact CE2-CB 3.97Å; F508-R745 HydrophobicContact CG-CB 3.74Å; F508-R745 HydrophobicContact CG-CG 4.19Å; F508-R745 HydrophobicContact CZ-CB 3.99Å; F508-R745 HydrophobicContact CZ-CG 4.23Å
509E95.6Very high92.8Very high12 Ų1211.7 Ų11.76%0.0566%0.06CC..Hα-helixtrans-61.2-33.6174.1-69.387.7170.900111.9V416 R479 G507 Y511 E512 C513 R745V416-E509 HydrophobicContact CG1-CB 3.82Å; R479-E509 HydrophobicContact CB-CG 4.13Å; R479-E509 HydrophobicContact CG-CG 4.31Å; R479-E509 IonicContact CZ-OE1 2.96Å; R479-E509 IonicContact NE-OE1 2.99Å; R479-E509 IonicContact NH1-OE1 3.07Å; R479-E509 PolarHBondContact NH1-OE1 3.4Å; G507-E509 VanDerWaalsContact C-N 3.3Å; G507-E509 PolarHBondContact O-N 3.46Å; E509-Y511 VanDerWaalsContact C-N 3.33Å; E509-E512 PolarHBondContact O-N 3.17Å; E509-C513 WeakPolarHBondContact O-CB 3.36Å; E509-C513 PolarHBondContact O-N 3.02Å; E509-C513 PolarHBondContact O-SG 3.19Å; E509-R745 IonicContact OE1-CZ 3.95Å; E509-R745 IonicContact OE1-NH1 3.67Å; E509-R745 PolarHBondContact OE1-NH1 2.91Å; E509-R745 IonicContact OE1-NH2 2.78Å; E509-R745 PolarHBondContact OE1-NH2 3.01Å; E509-R745 IonicContact OE2-CZ 3.4Å; E509-R745 IonicContact OE2-NH1 3.76Å; E509-R745 IonicContact OE2-NH2 3.84Å; E509-R745 PolarHBondContact OE2-NH2 3.17Å
510A94.5Very high92.6Very high0 Ų011.4 Ų11.40%06%0.06CC..Hα-helixtrans-67.1-36.617500000111.7V416 I504 G507 F508 C513 M514 M533V416-A510 HydrophobicContact CB-CB 3.91Å; V416-A510 HydrophobicContact CG1-CB 4.37Å; I504-A510 HydrophobicContact CG2-CB 3.74Å; G507-A510 VanDerWaalsContact O-CB 3.27Å; G507-A510 WeakPolarHBondContact O-CB 3.12Å; G507-A510 PolarHBondContact O-N 3.39Å; F508-A510 PolarHBondContact O-N 3.41Å; A510-C513 PolarHBondContact O-N 3.16Å; A510-M514 PolarHBondContact O-N 2.83Å; A510-M533 HydrophobicContact CB-CE 3.83Å; A510-M533 HydrophobicContact CB-SD 4.46Å
511Y92.2Very high92.5Very high0 Ų011.2 Ų11.20%06%0.055CC..Hα-helixtrans-65-44.9173.6173.5-127.3000111.5G507 F508 E509 C513 M514 I515 P543 M716 S733 L736 R737 T740 F742G507-Y511 PolarHBondContact O-N 2.99Å; F508-Y511 HydrophobicContact CE2-CD1 4.34Å; F508-Y511 HydrophobicContact CZ-CD1 4.34Å; F508-Y511 WeakPolarHBondContact O-CA 3.16Å; F508-Y511 WeakPolarHBondContact O-CB 3.35Å; F508-Y511 PolarHBondContact O-N 2.95Å; E509-Y511 VanDerWaalsContact C-N 3.33Å; Y511-C513 PolarHBondContact O-N 3.01Å; Y511-M514 WeakPolarHBondContact O-CB 3.46Å; Y511-M514 PolarHBondContact O-N 3.3Å; Y511-I515 HydrophobicContact CD1-CD1 4.19Å; Y511-I515 HydrophobicContact CD2-CD1 4.17Å; Y511-I515 HydrophobicContact CD2-CG1 4.4Å; Y511-I515 HydrophobicContact CE1-CD1 3.69Å; Y511-I515 HydrophobicContact CE2-CD1 3.62Å; Y511-I515 HydrophobicContact CE2-CG1 3.94Å; Y511-I515 HydrophobicContact CG-CD1 4.42Å; Y511-I515 WeakPolarHBondContact O-CG1 3.22Å; Y511-I515 PolarHBondContact O-N 3.21Å; Y511-P543 HydrophobicContact CD1-CG 4.21Å; Y511-P543 HydrophobicContact CE1-CG 3.99Å; Y511-M716 HydrophobicContact CD2-CE 3.33Å; Y511-M716 HydrophobicContact CD2-SD 3.77Å; Y511-M716 HydrophobicContact CE2-CE 3.14Å; Y511-M716 HydrophobicContact CE2-SD 4.18Å; Y511-S733 PolarHBondContact OH-O 2.88Å; Y511-L736 HydrophobicContact CE2-CB 4.48Å; Y511-L736 VanDerWaalsContact OH-C 3.27Å; Y511-L736 WeakPolarHBondContact OH-CB 3.44Å; Y511-R737 PolarHBondContact OH-N 3.3Å; Y511-T740 HydrophobicContact CE1-CG2 4.06Å; Y511-F742 HydrophobicContact CD1-CE1 4.47Å; Y511-F742 AromaticContact CE1-CE1 3.98Å; Y511-F742 HydrophobicContact CE1-CE1 3.98Å; Y511-F742 AromaticContact CE1-CZ 3.89Å; Y511-F742 HydrophobicContact CE1-CZ 3.89Å
512E92.9Very high92.2Very high50 Ų5019.9 Ų19.923%0.23410%0.095CC..Hα-helixtrans-59.7-46.3173.1-69.1177.5142.300111.1F508 E509 M514 I515 E516F508-E512 HydrophobicContact CD1-CG 3.88Å; F508-E512 HydrophobicContact CE1-CG 3.85Å; F508-E512 PolarHBondContact O-N 3.04Å; E509-E512 PolarHBondContact O-N 3.17Å; E512-M514 VanDerWaalsContact C-N 3.3Å; E512-M514 PolarHBondContact O-N 3.48Å; E512-I515 WeakPolarHBondContact O-CB 3.25Å; E512-I515 PolarHBondContact O-N 2.83Å; E512-I515 VanDerWaalsContact O-N 3.13Å; E512-E516 WeakPolarHBondContact O-CG 3.3Å; E512-E516 PolarHBondContact O-N 3.27Å
513C94.1Very high92.1Very high0 Ų027.5 Ų27.50%013%0.128CC..Hα-helixtrans-58.1-42.5176.2-680000112.2F448 P482 E509 A510 Y511 I515 E516 L517F448-C513 HydrophobicContact CD2-CB 4.35Å; F448-C513 HydrophobicContact CE2-CB 3.64Å; F448-C513 HydrophobicContact CZ-CB 4.43Å; P482-C513 WeakPolarHBondContact CD-SG 3.44Å; P482-C513 HydrophobicContact CG-CB 4.21Å; E509-C513 WeakPolarHBondContact O-CB 3.36Å; E509-C513 PolarHBondContact O-N 3.02Å; E509-C513 PolarHBondContact O-SG 3.19Å; A510-C513 PolarHBondContact O-N 3.16Å; Y511-C513 PolarHBondContact O-N 3.01Å; C513-I515 VanDerWaalsContact C-N 3.33Å; C513-I515 PolarHBondContact O-N 3.47Å; C513-E516 PolarHBondContact O-N 3.18Å; C513-L517 VanDerWaalsContact O-CG 3.23Å; C513-L517 WeakPolarHBondContact O-CG 3.24Å; C513-L517 PolarHBondContact O-N 2.93Å
514M89.6Confident92.1Very high0 Ų030.1 Ų30.10%014%0.139CC..Hα-helixtrans-58.7-48.4176.6-178.662.177.100110.4I504 A510 Y511 E512 E516 L517 V518 M531 A532 M533 T714 F715I504-M514 HydrophobicContact CD1-CB 4.39Å; I504-M514 HydrophobicContact CD1-CE 3.88Å; I504-M514 HydrophobicContact CD1-SD 4.39Å; I504-M514 HydrophobicContact CG1-CE 4.18Å; A510-M514 PolarHBondContact O-N 2.83Å; Y511-M514 WeakPolarHBondContact O-CB 3.46Å; Y511-M514 PolarHBondContact O-N 3.3Å; E512-M514 VanDerWaalsContact C-N 3.3Å; E512-M514 PolarHBondContact O-N 3.48Å; M514-E516 PolarHBondContact O-N 3.48Å; M514-L517 PolarHBondContact O-N 2.72Å; M514-V518 WeakPolarHBondContact O-CG2 3.19Å; M514-V518 PolarHBondContact O-N 2.83Å; M514-M531 HydrophobicContact CE-CB 3.81Å; M514-M531 HydrophobicContact SD-CB 3.68Å; M514-M531 HydrophobicContact SD-SD 4.33Å; M514-A532 VanDerWaalsContact CE-O 3.26Å; M514-A532 WeakPolarHBondContact CE-O 3.47Å; M514-M533 HydrophobicContact CE-CB 3.64Å; M514-T714 HydrophobicContact SD-CG2 3.99Å; M514-F715 WeakPolarHBondContact CE-O 3.42Å
515I89.1Confident91.7Very high6 Ų633.7 Ų33.73%0.03116%0.162CC..Hα-helixtrans-55.8-51.3176.2-76.3169.2000111.4Y511 E512 C513 L517 V518 E519 R737 F742Y511-I515 HydrophobicContact CD1-CD1 4.19Å; Y511-I515 HydrophobicContact CD2-CD1 4.17Å; Y511-I515 HydrophobicContact CD2-CG1 4.4Å; Y511-I515 HydrophobicContact CE1-CD1 3.69Å; Y511-I515 HydrophobicContact CE2-CD1 3.62Å; Y511-I515 HydrophobicContact CE2-CG1 3.94Å; Y511-I515 HydrophobicContact CG-CD1 4.42Å; Y511-I515 WeakPolarHBondContact O-CG1 3.22Å; Y511-I515 PolarHBondContact O-N 3.21Å; E512-I515 WeakPolarHBondContact O-CB 3.25Å; E512-I515 PolarHBondContact O-N 2.83Å; E512-I515 VanDerWaalsContact O-N 3.13Å; C513-I515 VanDerWaalsContact C-N 3.33Å; C513-I515 PolarHBondContact O-N 3.47Å; I515-L517 VanDerWaalsContact C-N 3.3Å; I515-L517 PolarHBondContact O-N 2.87Å; I515-V518 WeakPolarHBondContact O-CB 3Å; I515-V518 PolarHBondContact O-N 2.9Å; I515-V518 VanDerWaalsContact O-N 3.1Å; I515-E519 PolarHBondContact O-N 2.73Å; I515-R737 HydrophobicContact CD1-CG 4.01Å; I515-R737 VanDerWaalsContact CG2-CZ 3.43Å; I515-F742 HydrophobicContact CD1-CE1 3.87Å; I515-F742 HydrophobicContact CD1-CZ 3.77Å
516E93Very high91.4Very high28 Ų2836.1 Ų36.113%0.13117%0.173CC..Hα-helixtrans-60.8-40.1-177.7-66.5-177.6171.900111.7T481 P482 N483 I487 E512 C513 M514 E519 G520T481-E516 WeakPolarHBondContact CB-OE1 3.25Å; T481-E516 VanDerWaalsContact CB-OE2 3.26Å; T481-E516 WeakPolarHBondContact CB-OE2 3.25Å; T481-E516 PolarHBondContact OG1-OE1 3.04Å; T481-E516 PolarHBondContact OG1-OE2 2.6Å; P482-E516 HydrophobicContact CB-CB 4.44Å; P482-E516 WeakPolarHBondContact CD-OE2 3.38Å; P482-E516 VanDerWaalsContact N-OE2 3.14Å; N483-E516 HydrophobicContact CB-CG 4.43Å; N483-E516 WeakPolarHBondContact CB-OE2 3Å; N483-E516 PolarHBondContact N-OE2 2.82Å; N483-E516 VanDerWaalsContact ND2-CD 3.28Å; N483-E516 WeakPolarHBondContact ND2-CG 3.46Å; N483-E516 PolarHBondContact ND2-OE1 2.98Å; I487-E516 VanDerWaalsContact CD1-O 3.32Å; I487-E516 WeakPolarHBondContact CD1-O 3.46Å; E512-E516 WeakPolarHBondContact O-CG 3.3Å; E512-E516 PolarHBondContact O-N 3.27Å; C513-E516 PolarHBondContact O-N 3.18Å; M514-E516 PolarHBondContact O-N 3.48Å; E516-E519 PolarHBondContact O-N 2.72Å; E516-G520 PolarHBondContact O-N 2.83Å
517L92.1Very high91.2Very high0 Ų036.1 Ų36.10%017%0.173CC..Hα-helixtrans-66.8-36.5176-66.7169.3000112.2F448 P482 V490 F494 L502 I504 C513 M514 I515 G520 R521 L527 M531F448-L517 HydrophobicContact CE1-CD1 4.23Å; F448-L517 HydrophobicContact CZ-CD1 3.79Å; P482-L517 HydrophobicContact CB-CD2 4.23Å; P482-L517 HydrophobicContact CG-CD2 3.97Å; P482-L517 HydrophobicContact CG-CG 4.01Å; V490-L517 HydrophobicContact CG1-CD2 4.05Å; F494-L517 HydrophobicContact CZ-CD1 4.46Å; F494-L517 HydrophobicContact CZ-CD2 4.32Å; L502-L517 HydrophobicContact CD2-CD1 3.89Å; I504-L517 HydrophobicContact CD1-CD1 3.82Å; C513-L517 VanDerWaalsContact O-CG 3.23Å; C513-L517 WeakPolarHBondContact O-CG 3.24Å; C513-L517 PolarHBondContact O-N 2.93Å; M514-L517 PolarHBondContact O-N 2.72Å; I515-L517 VanDerWaalsContact C-N 3.3Å; I515-L517 PolarHBondContact O-N 2.87Å; L517-G520 PolarHBondContact O-N 3.36Å; L517-R521 PolarHBondContact O-N 3.02Å; L517-L527 HydrophobicContact CD2-CD1 4.33Å; L517-L527 HydrophobicContact CD2-CD2 4.01Å; L517-M531 HydrophobicContact CB-CE 3.96Å; L517-M531 HydrophobicContact CB-SD 3.83Å; L517-M531 HydrophobicContact CD1-SD 3.92Å; L517-M531 HydrophobicContact CG-SD 4.49Å
518V85.8Confident90.8Very high15 Ų1536.8 Ų36.89%0.09118%0.177CC..Hα-helixtrans-61.1-51174.3-178.60000110.5M514 I515 G520 R521 T714 S733 L734M514-V518 WeakPolarHBondContact O-CG2 3.19Å; M514-V518 PolarHBondContact O-N 2.83Å; I515-V518 WeakPolarHBondContact O-CB 3Å; I515-V518 PolarHBondContact O-N 2.9Å; I515-V518 VanDerWaalsContact O-N 3.1Å; V518-G520 PolarHBondContact O-N 3.49Å; V518-R521 VanDerWaalsContact O-CB 3.25Å; V518-R521 WeakPolarHBondContact O-CB 3.42Å; V518-R521 WeakPolarHBondContact O-CG 3.48Å; V518-R521 PolarHBondContact O-N 2.78Å; V518-R521 VanDerWaalsContact O-N 3.13Å; V518-T714 HydrophobicContact CB-CG2 4.18Å; V518-T714 HydrophobicContact CG1-CG2 4.46Å; V518-T714 WeakPolarHBondContact CG1-OG1 3.1Å; V518-T714 HydrophobicContact CG2-CG2 3.23Å; V518-T714 WeakPolarHBondContact CG2-OG1 3.33Å; V518-S733 WeakPolarHBondContact CG2-OG 3.28Å; V518-L734 HydrophobicContact CG1-CD1 3.89Å; V518-L734 HydrophobicContact CG1-CG 4.27Å
519E87.6Confident90.5Very high92 Ų9237.6 Ų37.643%0.4318%0.182SC..Hα-helixtrans-65.1-32.5-178.7-67.6-177.3139.800111.4I515 E516 R521 R737I515-E519 PolarHBondContact O-N 2.73Å; E516-E519 PolarHBondContact O-N 2.72Å; E519-R521 PolarHBondContact O-N 3.08Å; E519-R737 IonicContact OE1-CZ 3.31Å; E519-R737 IonicContact OE1-NH1 2.69Å; E519-R737 PolarHBondContact OE1-NH1 2.96Å; E519-R737 IonicContact OE1-NH2 2.81Å; E519-R737 PolarHBondContact OE1-NH2 3.15Å; E519-R737 IonicContact OE2-NH2 2.7Å; E519-R737 PolarHBondContact OE2-NH2 2.86Å; E519-R737 VanDerWaalsContact OE2-NH2 3.15Å
520G90.5Very high90.1Very high6 Ų637.4 Ų37.46%0.06218%0.181CC..Hα-helixtrans-61.9-21.9174.400000114.6E516 L517 V518 E522 K523 Y524E516-G520 PolarHBondContact O-N 2.83Å; L517-G520 PolarHBondContact O-N 3.36Å; V518-G520 PolarHBondContact O-N 3.49Å; G520-E522 PolarHBondContact O-N 2.73Å; G520-K523 PolarHBondContact O-N 3.29Å; G520-Y524 WeakPolarHBondContact O-CD2 3.23Å; G520-Y524 PolarHBondContact O-N 3.35Å
521R88.3Confident89.9Confident23 Ų2337.4 Ų37.49%0.08718%0.181CC..THydrogen-bonded Turntrans-58.7-30-177.9-71.4179.5168.8-179.81.8113.8L517 V518 E519 K523 L527 I529 I711 Q713 T714L517-R521 PolarHBondContact O-N 3.02Å; V518-R521 VanDerWaalsContact O-CB 3.25Å; V518-R521 WeakPolarHBondContact O-CB 3.42Å; V518-R521 WeakPolarHBondContact O-CG 3.48Å; V518-R521 PolarHBondContact O-N 2.78Å; V518-R521 VanDerWaalsContact O-N 3.13Å; E519-R521 PolarHBondContact O-N 3.08Å; R521-K523 PolarHBondContact O-N 3.38Å; R521-L527 HydrophobicContact CG-CB 4.06Å; R521-L527 WeakPolarHBondContact CG-O 3.42Å; R521-L527 PolarHBondContact NE-O 3.33Å; R521-L527 VanDerWaalsContact NE-O 3.09Å; R521-I529 PolarHBondContact NH2-O 3.15Å; R521-I711 PolarHBondContact NH1-O 3.42Å; R521-Q713 PolarHBondContact NH1-O 3.46Å; R521-Q713 PolarHBondContact NH2-O 2.76Å; R521-Q713 VanDerWaalsContact NH2-O 3.12Å; R521-T714 VanDerWaalsContact CZ-OG1 3.28Å; R521-T714 PolarHBondContact NH1-OG1 3.42Å
522E86.2Confident89.7Confident182 Ų18237.4 Ų37.485%0.8518%0.181SC*.THydrogen-bonded Turntrans-62.8-32.7177.6-168.7-176.2176.800111.8G520G520-E522 PolarHBondContact O-N 2.73Å
523K92.9Very high89.6Confident160 Ų16035 Ų3570%0.69617%0.17SC*.THydrogen-bonded Turntrans-103-29.4-175.1-65.3178.6-175.4171.70113.5G520 R521G520-K523 PolarHBondContact O-N 3.29Å; R521-K523 PolarHBondContact O-N 3.38Å
524Y93.3Very high89.5Confident56 Ų5635 Ų3522%0.2217%0.17CC..  trans-124.697.7-171.4-56.3-76.6000110.4I487 D488 A491 G520 E526 L527I487-Y524 HydrophobicContact CG1-CE2 4.45Å; I487-Y524 HydrophobicContact CG2-CE2 3.66Å; D488-Y524 HydrophobicContact CB-CE1 4Å; D488-Y524 WeakPolarHBondContact CB-OH 3.28Å; A491-Y524 HydrophobicContact CB-CD1 3.71Å; A491-Y524 HydrophobicContact CB-CD2 4.46Å; A491-Y524 HydrophobicContact CB-CE1 4.46Å; A491-Y524 HydrophobicContact CB-CG 3.72Å; G520-Y524 WeakPolarHBondContact O-CD2 3.23Å; G520-Y524 PolarHBondContact O-N 3.35Å; Y524-E526 PolarHBondContact O-N 2.93Å; Y524-L527 HydrophobicContact CD2-CD1 4.22Å; Y524-L527 HydrophobicContact CG-CD1 4.42Å; Y524-L527 WeakPolarHBondContact O-CB 3.26Å; Y524-L527 PolarHBondContact O-N 3.26Å
525P88.4Confident89.6Confident74 Ų7435.2 Ų35.248%0.48117%0.171SC..G310 helixtrans-58.2-29-178.8-26.635.2000114.3L527 C528P525-L527 PolarHBondContact O-N 3.42Å; P525-C528 WeakPolarHBondContact O-CB 3.41Å; P525-C528 PolarHBondContact O-N 3.03Å
526E88.9Confident89.9Confident51 Ų5134.9 Ų34.924%0.23817%0.17CC..G310 helixtrans-62.8-17.2173.352.1-95.6-15000114.6A491 K495 Y524 C528A491-E526 HydrophobicContact CB-CG 3.76Å; A491-E526 WeakPolarHBondContact CB-OE1 3.31Å; A491-E526 WeakPolarHBondContact O-CG 3.23Å; K495-E526 HydrophobicContact CB-CB 4.15Å; K495-E526 HydrophobicContact CB-CG 4.49Å; Y524-E526 PolarHBondContact O-N 2.93Å; E526-C528 VanDerWaalsContact C-N 3.33Å
527L90.7Very high90.1Very high0 Ų034.3 Ų34.30%017%0.168CC..G310 helixtrans-86.3-6.6172.3-57.4-177.1000112.3I487 A491 F494 L517 R521 Y524 P525 I529 M531I487-L527 HydrophobicContact CD1-CD1 4.17Å; I487-L527 HydrophobicContact CG1-CD1 4.2Å; A491-L527 HydrophobicContact CB-CD1 4.46Å; A491-L527 HydrophobicContact CB-CD2 4.25Å; A491-L527 HydrophobicContact CB-CG 4.25Å; F494-L527 HydrophobicContact CD1-CD2 3.71Å; F494-L527 HydrophobicContact CE1-CD2 3.94Å; F494-L527 HydrophobicContact CG-CD2 4.06Å; F494-L527 HydrophobicContact CZ-CD2 4.48Å; L517-L527 HydrophobicContact CD2-CD1 4.33Å; L517-L527 HydrophobicContact CD2-CD2 4.01Å; R521-L527 HydrophobicContact CG-CB 4.06Å; R521-L527 WeakPolarHBondContact CG-O 3.42Å; R521-L527 PolarHBondContact NE-O 3.33Å; R521-L527 VanDerWaalsContact NE-O 3.09Å; Y524-L527 HydrophobicContact CD2-CD1 4.22Å; Y524-L527 HydrophobicContact CG-CD1 4.42Å; Y524-L527 WeakPolarHBondContact O-CB 3.26Å; Y524-L527 PolarHBondContact O-N 3.26Å; P525-L527 PolarHBondContact O-N 3.42Å; L527-I529 PolarHBondContact O-N 3.38Å; L527-M531 VanDerWaalsContact O-CE 3.24Å; L527-M531 WeakPolarHBondContact O-CE 3.42Å
528C87.7Confident90.4Very high18 Ų1834.8 Ų34.812%0.12217%0.17CC..  trans-77.255.3174.9-60.80000111.1P525 E526 L708 I711P525-C528 WeakPolarHBondContact O-CB 3.41Å; P525-C528 PolarHBondContact O-N 3.03Å; E526-C528 VanDerWaalsContact C-N 3.33Å; C528-L708 HydrophobicContact CB-CD2 4.32Å; C528-I711 WeakPolarHBondContact O-CD1 3.43Å
529I87.1Confident90.9Very high17 Ų1734.8 Ų34.89%0.08717%0.171CC..SBendtrans-119.2152.8173.762.1175.5000109.9F494 L499 L502 R521 L527 M531F494-I529 HydrophobicContact CD1-CD1 3.78Å; F494-I529 HydrophobicContact CE1-CD1 3.9Å; L499-I529 HydrophobicContact CB-CD1 3.98Å; L502-I529 HydrophobicContact CB-CD1 4.39Å; R521-I529 PolarHBondContact NH2-O 3.15Å; L527-I529 PolarHBondContact O-N 3.38Å; I529-M531 HydrophobicContact CG1-CG 4.23Å; I529-M531 WeakPolarHBondContact O-CG 3.37Å; I529-M531 PolarHBondContact O-N 3.03Å
530P87.5Confident91.3Very high7 Ų730.4 Ų30.45%0.04515%0.151CC..  trans-56.6131.3169.6-27.237.2000111.6S500 G501 L502 W695 L696 Q699 I700S500-P530 WeakPolarHBondContact O-CD 3.33Å; G501-P530 CarbonylContact C-O 3.56Å; G501-P530 WeakPolarHBondContact CA-O 3.32Å; L502-P530 PolarHBondContact N-O 3.33Å; P530-W695 HydrophobicContact CB-CH2 4.11Å; P530-W695 HydrophobicContact CB-CZ3 4.44Å; P530-L696 HydrophobicContact CB-CD2 3.76Å; P530-Q699 HydrophobicContact CB-CB 3.85Å; P530-Q699 HydrophobicContact CG-CB 3.76Å; P530-I700 HydrophobicContact CB-CG1 4.41Å; P530-I700 HydrophobicContact CG-CG1 3.97Å
531M89.2Confident91.5Very high0 Ų030.8 Ų30.80%015%0.151CC..EExtended strand (participates in β ladder)trans-128.2126.1178.7-57.2-172.7-113.600109.4L502 M514 L517 L527 I529 T714 F715L502-M531 HydrophobicContact CB-CB 4.43Å; L502-M531 HydrophobicContact CB-CG 4.02Å; L502-M531 HydrophobicContact CD2-CG 4.42Å; L502-M531 HydrophobicContact CD2-SD 4.07Å; L502-M531 CarbonylContact O-C 3.35Å; L502-M531 WeakPolarHBondContact O-CA 3.44Å; M514-M531 HydrophobicContact CE-CB 3.81Å; M514-M531 HydrophobicContact SD-CB 3.68Å; M514-M531 HydrophobicContact SD-SD 4.33Å; L517-M531 HydrophobicContact CB-CE 3.96Å; L517-M531 HydrophobicContact CB-SD 3.83Å; L517-M531 HydrophobicContact CD1-SD 3.92Å; L517-M531 HydrophobicContact CG-SD 4.49Å; L527-M531 VanDerWaalsContact O-CE 3.24Å; L527-M531 WeakPolarHBondContact O-CE 3.42Å; I529-M531 HydrophobicContact CG1-CG 4.23Å; I529-M531 WeakPolarHBondContact O-CG 3.37Å; I529-M531 PolarHBondContact O-N 3.03Å; M531-T714 HydrophobicContact CB-CG2 4.2Å; M531-T714 HydrophobicContact CE-CG2 3.78Å; M531-T714 HydrophobicContact CG-CG2 4.48Å; M531-T714 HydrophobicContact SD-CG2 4.47Å; M531-F715 CarbonylContact O-C 3.59Å; M531-F715 WeakPolarHBondContact O-CB 3.48Å; M531-F715 PolarHBondContact O-N 3.12Å
532A88.9Confident91.6Very high0 Ų029.7 Ų29.70%015%0.147CC..EExtended strand (participates in β ladder)trans-87.714216600000114.1L502 I504 M514 W695 F715 L717L502-A532 PolarHBondContact O-N 3.45Å; I504-A532 PolarHBondContact N-O 2.98Å; M514-A532 VanDerWaalsContact CE-O 3.26Å; M514-A532 WeakPolarHBondContact CE-O 3.47Å; A532-W695 HydrophobicContact CB-CE3 3.69Å; A532-W695 HydrophobicContact CB-CH2 4.45Å; A532-W695 HydrophobicContact CB-CZ3 3.52Å; A532-F715 HydrophobicContact CB-CB 4.36Å; A532-L717 HydrophobicContact CB-CD1 3.66Å; A532-L717 HydrophobicContact CB-CG 4.12Å
533M90.4Very high91.6Very high0 Ų021.1 Ų21.10%011%0.107CC..EExtended strand (participates in β ladder)trans-125.1136.8158.3176.1-172.3170.700111.2I504 G506 A510 M514 P535 V542 M716 L717I504-M533 CarbonylContact O-C 3Å; I504-M533 WeakPolarHBondContact O-CA 3.01Å; G506-M533 WeakPolarHBondContact O-CE 3.42Å; A510-M533 HydrophobicContact CB-CE 3.83Å; A510-M533 HydrophobicContact CB-SD 4.46Å; M514-M533 HydrophobicContact CE-CB 3.64Å; M533-P535 HydrophobicContact CE-CG 4.5Å; M533-V542 HydrophobicContact CE-CG1 3.7Å; M533-M716 HydrophobicContact CB-CG 3.6Å; M533-M716 HydrophobicContact CG-CG 4.05Å; M533-M716 HydrophobicContact SD-CG 3.68Å; M533-M716 HydrophobicContact SD-SD 3.75Å; M533-L717 VanDerWaalsContact O-CB 3.26Å; M533-L717 WeakPolarHBondContact O-CB 3.37Å; M533-L717 PolarHBondContact O-N 3.33Å
534V92.2Very high91Very high1 Ų114.5 Ų14.51%0.0068%0.084CC..EExtended strand (participates in β ladder)trans-110.8117.1167.4175.70000109.6V426 L503 I504 I505 G506 A536 L549 F688 L717V426-V534 HydrophobicContact CG1-CG2 4.22Å; V426-V534 HydrophobicContact CG2-CG1 4.08Å; L503-V534 HydrophobicContact CD1-CG2 4Å; I504-V534 PolarHBondContact O-N 3.14Å; I505-V534 WeakPolarHBondContact CA-O 3.21Å; I505-V534 HydrophobicContact CG1-CB 4.28Å; I505-V534 HydrophobicContact CG2-CB 4.34Å; I505-V534 HydrophobicContact CG2-CG1 4.46Å; G506-V534 PolarHBondContact N-O 3.05Å; V534-A536 PolarHBondContact O-N 3.36Å; V534-L549 HydrophobicContact CG1-CD1 3.73Å; V534-L549 HydrophobicContact CG1-CG 4.48Å; V534-F688 HydrophobicContact CG1-CB 4.02Å; V534-F688 HydrophobicContact CG1-CD2 3.49Å; V534-F688 VanDerWaalsContact CG1-CD2 3.49Å; V534-F688 HydrophobicContact CG1-CE2 4.11Å; V534-F688 HydrophobicContact CG1-CG 3.99Å; V534-F688 HydrophobicContact CG2-CB 4.14Å; V534-L717 HydrophobicContact CG2-CD1 4.13Å
535P92.7Very high90.5Very high3 Ų312.3 Ų12.32%0.0198%0.077CC..EExtended strand (participates in β ladder)trans-62.5125.5175.4-24.635.6000112.6G506 M533 V542 T545 L549G506-P535 CarbonylContact O-C 3.6Å; G506-P535 WeakPolarHBondContact O-CA 3.48Å; M533-P535 HydrophobicContact CE-CG 4.5Å; P535-V542 HydrophobicContact CB-CB 4.02Å; P535-V542 HydrophobicContact CB-CG1 3.97Å; P535-V542 HydrophobicContact CB-CG2 4.29Å; P535-V542 HydrophobicContact CG-CG1 4.06Å; P535-T545 HydrophobicContact CB-CG2 3.66Å; P535-T545 HydrophobicContact CG-CG2 3.73Å; P535-L549 PolarHBondContact O-N 3.13Å
536A95.4Very high90.2Very high0 Ų010.1 Ų10.10%06%0.061CC..BIsolated β-bridgetrans-145.3105.1179.200000111A420 I423 I505 G506 G507 V534 L549A420-A536 HydrophobicContact CB-CB 4.42Å; I423-A536 HydrophobicContact CD1-CB 3.95Å; I423-A536 HydrophobicContact CG1-CB 3.63Å; I505-A536 HydrophobicContact CG2-CB 3.78Å; G506-A536 CarbonylContact C-O 3.55Å; G506-A536 PolarHBondContact O-N 3.38Å; G507-A536 WeakPolarHBondContact CA-O 3.34Å; G507-A536 PolarHBondContact N-O 2.94Å; V534-A536 PolarHBondContact O-N 3.36Å; A536-L549 CarbonylContact C-O 3.51Å; A536-L549 WeakPolarHBondContact CA-O 3.42Å; A536-L549 HydrophobicContact CB-CB 3.9Å; A536-L549 HydrophobicContact CB-CD1 4.44Å
537T96.4Very high90.3Very high15 Ų158.9 Ų8.99%0.0926%0.055CC..  trans-163.8149.1177.2175.20000108.8S539 N541 V542 S548 L549T537-S539 PolarHBondContact O-N 2.98Å; T537-S539 PolarHBondContact OG1-N 3.41Å; T537-N541 WeakPolarHBondContact CG2-OD1 3.36Å; T537-V542 HydrophobicContact CG2-CG2 3.82Å; T537-S548 VanDerWaalsContact CG2-OG 3.24Å; T537-S548 WeakPolarHBondContact CG2-OG 3.43Å; T537-S548 PolarHBondContact O-OG 2.87Å; T537-L549 CarbonylContact C-O 3.55Å; T537-L549 PolarHBondContact N-O 3.06Å; T537-L549 VanDerWaalsContact O-O 3.09Å
538I97.4Very high90.4Very high10 Ų108.9 Ų8.95%0.0516%0.055CC..THydrogen-bonded Turntrans-70.9-25.8173.565.2171000112N540 A554 M582 L589 Q672 Q673I538-N540 VanDerWaalsContact C-N 3.29Å; I538-N540 PolarHBondContact O-N 3.41Å; I538-A554 HydrophobicContact CB-CB 3.69Å; I538-A554 HydrophobicContact CG2-CB 3.83Å; I538-M582 HydrophobicContact CD1-CB 4.04Å; I538-M582 HydrophobicContact CD1-CE 4.31Å; I538-M582 HydrophobicContact CD1-SD 4.08Å; I538-L589 HydrophobicContact CB-CD1 4.31Å; I538-L589 HydrophobicContact CD1-CD1 4.29Å; I538-L589 HydrophobicContact CG1-CD1 4.21Å; I538-L589 WeakPolarHBondContact O-CD1 3.31Å; I538-L589 WeakPolarHBondContact O-CD2 3.41Å; I538-L589 WeakPolarHBondContact O-CG 3.47Å; I538-Q672 HydrophobicContact CD1-CB 4.17Å; I538-Q673 HydrophobicContact CD1-CG 4.26Å; I538-Q673 HydrophobicContact CG2-CG 4.42Å
539S97Very high90.7Very high16 Ų168 Ų811%0.1125%0.049CC..THydrogen-bonded Turntrans-73-20.1-172.8-57.90000113.9T537 N541 G583 C586T537-S539 PolarHBondContact O-N 2.98Å; T537-S539 PolarHBondContact OG1-N 3.41Å; S539-N541 VanDerWaalsContact C-N 3.27Å; S539-N541 PolarHBondContact O-N 3.47Å; S539-G583 WeakPolarHBondContact CB-O 3.25Å; S539-G583 WeakPolarHBondContact OG-CA 3.5Å; S539-G583 PolarHBondContact OG-O 3.25Å; S539-C586 PolarHBondContact O-SG 3.17Å
540N95.3Very high91.2Very high0 Ų07.2 Ų7.20%05%0.045CC..  trans55.437.8-169.9-156.438.4000114.5I538 D546 F547 S548 C551 Y588I538-N540 VanDerWaalsContact C-N 3.29Å; I538-N540 PolarHBondContact O-N 3.41Å; N540-D546 PolarHBondContact ND2-O 2.97Å; N540-D546 PolarHBondContact OD1-O 3.31Å; N540-F547 VanDerWaalsContact OD1-CA 3.25Å; N540-F547 WeakPolarHBondContact OD1-CA 3.44Å; N540-S548 VanDerWaalsContact CA-OG 3.29Å; N540-S548 WeakPolarHBondContact CA-OG 3.45Å; N540-S548 PolarHBondContact OD1-N 3.28Å; N540-S548 PolarHBondContact OD1-OG 3.14Å; N540-C551 HydrophobicContact CB-CB 4.06Å; N540-Y588 HydrophobicContact CB-CD1 3.61Å; N540-Y588 HydrophobicContact CB-CD2 4.17Å; N540-Y588 HydrophobicContact CB-CE1 4Å; N540-Y588 HydrophobicContact CB-CE2 4.48Å; N540-Y588 HydrophobicContact CB-CG 3.72Å; N540-Y588 WeakPolarHBondContact ND2-CE2 3.3Å
541N94.6Very high91.6Very high13 Ų136.9 Ų6.97%0.074%0.043CC..  trans-10619.3-172.975-45.5000114.1F508 T537 S539 C586 R745 L746F508-N541 WeakPolarHBondContact CD2-O 3.21Å; T537-N541 WeakPolarHBondContact CG2-OD1 3.36Å; S539-N541 VanDerWaalsContact C-N 3.27Å; S539-N541 PolarHBondContact O-N 3.47Å; N541-C586 HydrophobicContact CB-CB 3.76Å; N541-R745 PolarHBondContact ND2-O 3.13Å; N541-L746 HydrophobicContact CB-CD2 4.27Å
542V91.3Very high92Very high0 Ų07.3 Ų7.30%05%0.045CC..  trans-93.1122.4-179179.50000109.3M533 P535 T537 G544M533-V542 HydrophobicContact CE-CG1 3.7Å; P535-V542 HydrophobicContact CB-CB 4.02Å; P535-V542 HydrophobicContact CB-CG1 3.97Å; P535-V542 HydrophobicContact CB-CG2 4.29Å; P535-V542 HydrophobicContact CG-CG1 4.06Å; T537-V542 HydrophobicContact CG2-CG2 3.82Å; V542-G544 PolarHBondContact O-N 2.95Å
543P86.9Confident92.5Very high2 Ų27.5 Ų7.51%0.0135%0.046CC..THydrogen-bonded Turntrans-56.5134.5179.7-25.834000113.1F508 Y511 T740 P747F508-P543 HydrophobicContact CE2-CG 4.01Å; Y511-P543 HydrophobicContact CD1-CG 4.21Å; Y511-P543 HydrophobicContact CE1-CG 3.99Å; P543-T740 WeakPolarHBondContact CB-OG1 3.24Å; P543-T740 HydrophobicContact CG-CG2 3.72Å; P543-T740 WeakPolarHBondContact CG-OG1 3.38Å; P543-P747 HydrophobicContact CB-CG 4.38Å; P543-P747 HydrophobicContact CG-CG 4.19Å
544G78.9Confident92.9Very high21 Ų217.5 Ų7.522%0.2165%0.046CC..THydrogen-bonded Turntrans86.414.7172.900000115.9V542 Y718V542-G544 PolarHBondContact O-N 2.95Å; G544-Y718 VanDerWaalsContact C-CE2 3.47Å; G544-Y718 WeakPolarHBondContact O-CD2 3.25Å; G544-Y718 WeakPolarHBondContact O-CE2 3.31Å
545T83.2Confident93.2Very high11 Ų117.7 Ų7.77%0.0675%0.047CC..  trans-133.5145.3164.7-167.80000110.8P535 F547 I719P535-T545 HydrophobicContact CB-CG2 3.66Å; P535-T545 HydrophobicContact CG-CG2 3.73Å; T545-F547 VanDerWaalsContact C-N 3.3Å; T545-F547 PolarHBondContact OG1-N 3.48Å; T545-F547 PolarHBondContact OG1-O 2.83Å; T545-I719 PolarHBondContact OG1-O 3.11Å
546D83.6Confident93.4Very high27 Ų278.7 Ų8.714%0.1445%0.053CC..SBendtrans-75.6-24.9173-62.6-36.7000111.8N540 W721 W751N540-D546 PolarHBondContact ND2-O 2.97Å; N540-D546 PolarHBondContact OD1-O 3.31Å; D546-W721 WeakPolarHBondContact OD2-CB 3.42Å; D546-W721 PolarHBondContact OD2-N 2.96Å; D546-W751 PolarHBondContact O-NE1 3.29Å; D546-W751 VanDerWaalsContact O-NE1 3.11Å
547F89.5Confident93.5Very high25 Ų2511.9 Ų11.911%0.117%0.068CC..  trans-144.8112.1-175.9-62.8-90.7000111.8N540 T545 F680 L684 W721 W751N540-F547 VanDerWaalsContact OD1-CA 3.25Å; N540-F547 WeakPolarHBondContact OD1-CA 3.44Å; T545-F547 VanDerWaalsContact C-N 3.3Å; T545-F547 PolarHBondContact OG1-N 3.48Å; T545-F547 PolarHBondContact OG1-O 2.83Å; F547-F680 HydrophobicContact CB-CE1 4.44Å; F547-F680 HydrophobicContact CB-CZ 4.47Å; F547-F680 HydrophobicContact CD1-CE1 4.39Å; F547-F680 HydrophobicContact CD1-CZ 4.37Å; F547-F680 HydrophobicContact CG-CZ 4.31Å; F547-L684 HydrophobicContact CB-CD2 4.43Å; F547-W721 AromaticContact CD2-CE3 3.69Å; F547-W721 HydrophobicContact CD2-CE3 3.69Å; F547-W721 AromaticContact CD2-CZ3 3.71Å; F547-W721 HydrophobicContact CD2-CZ3 3.71Å; F547-W721 HydrophobicContact CE2-CD2 4.46Å; F547-W721 AromaticContact CE2-CE3 3.21Å; F547-W721 HydrophobicContact CE2-CE3 3.21Å; F547-W721 HydrophobicContact CE2-CH2 4.04Å; F547-W721 AromaticContact CE2-CZ3 2.97Å; F547-W721 HydrophobicContact CE2-CZ3 2.97Å; F547-W721 HydrophobicContact CZ-CE3 4.15Å; F547-W721 HydrophobicContact CZ-CH2 4.3Å; F547-W721 AromaticContact CZ-CZ3 3.46Å; F547-W721 HydrophobicContact CZ-CZ3 3.46Å; F547-W721 VanDerWaalsContact CZ-CZ3 3.46Å; F547-W751 AromaticContact CE1-CZ2 3.88Å; F547-W751 HydrophobicContact CE1-CZ2 3.88Å; F547-W751 AromaticContact CE2-CZ2 3.97Å; F547-W751 HydrophobicContact CE2-CZ2 3.97Å; F547-W751 AromaticContact CZ-CH2 3.93Å; F547-W751 HydrophobicContact CZ-CH2 3.93Å; F547-W751 AromaticContact CZ-CZ2 3.32Å; F547-W751 HydrophobicContact CZ-CZ2 3.32Å
548S93.3Very high93.6Very high0 Ų011.2 Ų11.20%06%0.064CC..  trans-83.6147.1163.962.30000111.6T537 N540 G550 C551T537-S548 VanDerWaalsContact CG2-OG 3.24Å; T537-S548 WeakPolarHBondContact CG2-OG 3.43Å; T537-S548 PolarHBondContact O-OG 2.87Å; N540-S548 VanDerWaalsContact CA-OG 3.29Å; N540-S548 WeakPolarHBondContact CA-OG 3.45Å; N540-S548 PolarHBondContact OD1-N 3.28Å; N540-S548 PolarHBondContact OD1-OG 3.14Å; S548-G550 PolarHBondContact O-N 3.07Å; S548-C551 PolarHBondContact O-N 3.26Å; S548-C551 PolarHBondContact O-SG 2.69Å
549L94.9Very high93.6Very high0 Ų010.9 Ų10.90%06%0.062CC..BIsolated β-bridgetrans-57.2136175.1-67.3171.3000111.9A420 C421 V426 V534 P535 A536 T537 L684 F688A420-L549 WeakPolarHBondContact CB-O 3.34Å; C421-L549 CarbonylContact O-C 3.6Å; V426-L549 HydrophobicContact CG2-CD1 3.25Å; V534-L549 HydrophobicContact CG1-CD1 3.73Å; V534-L549 HydrophobicContact CG1-CG 4.48Å; P535-L549 PolarHBondContact O-N 3.13Å; A536-L549 CarbonylContact C-O 3.51Å; A536-L549 WeakPolarHBondContact CA-O 3.42Å; A536-L549 HydrophobicContact CB-CB 3.9Å; A536-L549 HydrophobicContact CB-CD1 4.44Å; T537-L549 CarbonylContact C-O 3.55Å; T537-L549 PolarHBondContact N-O 3.06Å; T537-L549 VanDerWaalsContact O-O 3.09Å; L549-L684 HydrophobicContact CD2-CB 3.94Å; L549-L684 HydrophobicContact CD2-CD2 3.92Å; L549-L684 HydrophobicContact CD2-CG 3.83Å; L549-F688 HydrophobicContact CD1-CD2 3.97Å; L549-F688 HydrophobicContact CD1-CE2 4.4Å; L549-F688 HydrophobicContact CD2-CD2 3.96Å; L549-F688 HydrophobicContact CD2-CE2 3.98Å; L549-F688 HydrophobicContact CG-CD2 3.89Å; L549-F688 HydrophobicContact CG-CE2 3.85Å
550G96.8Very high93.6Very high0 Ų012.3 Ų12.30%07%0.072CC..THydrogen-bonded Turntrans96.8-14.9177.400000113.7C421 S548 T553 A554 D681C421-G550 VanDerWaalsContact O-CA 3.3Å; C421-G550 WeakPolarHBondContact O-CA 3.4Å; C421-G550 PolarHBondContact O-N 3.31Å; C421-G550 VanDerWaalsContact O-N 3.07Å; S548-G550 PolarHBondContact O-N 3.07Å; G550-T553 PolarHBondContact O-N 2.8Å; G550-A554 WeakPolarHBondContact O-CB 3.13Å; G550-A554 PolarHBondContact O-N 2.7Å; G550-D681 WeakPolarHBondContact CA-OD2 3.48Å; G550-D681 PolarHBondContact N-OD1 3.37Å; G550-D681 PolarHBondContact N-OD2 2.9Å
551C96.7Very high93.7Very high0 Ų013.6 Ų13.60%08%0.08CC..Hα-helixtrans-68.3-35.4-179.275.60000111.9N540 S548 L555 Y588N540-C551 HydrophobicContact CB-CB 4.06Å; S548-C551 PolarHBondContact O-N 3.26Å; S548-C551 PolarHBondContact O-SG 2.69Å; C551-L555 WeakPolarHBondContact O-CB 3.44Å; C551-L555 PolarHBondContact O-N 2.93Å; C551-Y588 HydrophobicContact CB-CE1 3.85Å
552D97.7Very high93.8Very high9 Ų913 Ų135%0.0488%0.076CC..Hα-helixtrans-71.8-41.9176.3177.273000112A554 L555 N556 S678 F680D552-A554 VanDerWaalsContact C-N 3.32Å; D552-A554 PolarHBondContact O-N 3.42Å; D552-L555 PolarHBondContact O-N 2.91Å; D552-N556 PolarHBondContact O-N 3.22Å; D552-N556 PolarHBondContact O-ND2 3.5Å; D552-N556 PolarHBondContact OD1-ND2 3.38Å; D552-N556 PolarHBondContact OD2-ND2 3.46Å; D552-S678 WeakPolarHBondContact OD2-CB 3.49Å; D552-S678 PolarHBondContact OD2-OG 2.81Å; D552-F680 HydrophobicContact CB-CB 4.29Å; D552-F680 HydrophobicContact CB-CD1 3.57Å; D552-F680 HydrophobicContact CB-CE1 4.28Å; D552-F680 HydrophobicContact CB-CG 4.23Å
553T98.5Very high94Very high4 Ų414.3 Ų14.33%0.0258%0.083CC..Hα-helixtrans-57.7-48.1172.3-59.40000110.5C421 G550 L555 N556 E557 S678 D681C421-T553 HydrophobicContact CB-CG2 3.85Å; C421-T553 WeakPolarHBondContact CB-OG1 3.18Å; G550-T553 PolarHBondContact O-N 2.8Å; T553-L555 VanDerWaalsContact C-N 3.35Å; T553-L555 PolarHBondContact O-N 3.27Å; T553-N556 PolarHBondContact O-N 3.11Å; T553-E557 WeakPolarHBondContact O-CG 3.43Å; T553-E557 PolarHBondContact O-N 3.46Å; T553-S678 PolarHBondContact OG1-N 2.97Å; T553-D681 VanDerWaalsContact CB-OD2 3.25Å; T553-D681 WeakPolarHBondContact CB-OD2 3.35Å; T553-D681 PolarHBondContact N-OD2 3.05Å; T553-D681 PolarHBondContact OG1-OD2 3.05Å
554A98.3Very high94.4Very high0 Ų020.6 Ų20.60%011%0.111CC..Hα-helixtrans-60.1-44.7178.200000112.5I538 G550 D552 N556 E557 I558 L589 Q672I538-A554 HydrophobicContact CB-CB 3.69Å; I538-A554 HydrophobicContact CG2-CB 3.83Å; G550-A554 WeakPolarHBondContact O-CB 3.13Å; G550-A554 PolarHBondContact O-N 2.7Å; D552-A554 VanDerWaalsContact C-N 3.32Å; D552-A554 PolarHBondContact O-N 3.42Å; A554-N556 VanDerWaalsContact C-N 3.33Å; A554-N556 PolarHBondContact O-N 2.95Å; A554-E557 PolarHBondContact O-N 3.27Å; A554-I558 WeakPolarHBondContact O-CD1 3.26Å; A554-I558 VanDerWaalsContact O-CG1 3.23Å; A554-I558 WeakPolarHBondContact O-CG1 3.35Å; A554-I558 PolarHBondContact O-N 3.43Å; A554-L589 HydrophobicContact CB-CD1 4.42Å; A554-L589 HydrophobicContact CB-CD2 3.97Å; A554-Q672 WeakPolarHBondContact CA-O 3.44Å; A554-Q672 WeakPolarHBondContact CB-O 3.5Å
555L98.1Very high95.1Very high5 Ų520.2 Ų20.23%0.02610%0.103CC..Hα-helixtrans-61-40.5178.1178.859.6000112.1A309 I313 C551 D552 T553 T559 M592 S593A309-L555 HydrophobicContact CB-CD1 4.32Å; A309-L555 HydrophobicContact CB-CD2 3.94Å; A309-L555 HydrophobicContact CB-CG 3.56Å; I313-L555 HydrophobicContact CD1-CD2 3.81Å; C551-L555 WeakPolarHBondContact O-CB 3.44Å; C551-L555 PolarHBondContact O-N 2.93Å; D552-L555 PolarHBondContact O-N 2.91Å; T553-L555 VanDerWaalsContact C-N 3.35Å; T553-L555 PolarHBondContact O-N 3.27Å; L555-T559 VanDerWaalsContact O-CB 3.23Å; L555-T559 WeakPolarHBondContact O-CB 3.08Å; L555-T559 PolarHBondContact O-N 3.41Å; L555-T559 PolarHBondContact O-OG1 3.25Å; L555-M592 HydrophobicContact CD1-CB 3.77Å; L555-M592 HydrophobicContact CD2-CB 4.13Å; L555-S593 VanDerWaalsContact CD1-OG 3.23Å; L555-S593 WeakPolarHBondContact CD1-OG 3.34Å
556N98.3Very high95.5Very high24 Ų2419.9 Ų19.913%0.12810%0.101CC..Hα-helixtrans-67.3-41.3174.9-82-73.1000112.4A309 D552 T553 A554 T559 S560A309-N556 PolarHBondContact N-OD1 3.11Å; D552-N556 PolarHBondContact O-N 3.22Å; D552-N556 PolarHBondContact O-ND2 3.5Å; D552-N556 PolarHBondContact OD1-ND2 3.38Å; D552-N556 PolarHBondContact OD2-ND2 3.46Å; T553-N556 PolarHBondContact O-N 3.11Å; A554-N556 VanDerWaalsContact C-N 3.33Å; A554-N556 PolarHBondContact O-N 2.95Å; N556-T559 PolarHBondContact O-N 3.14Å; N556-S560 WeakPolarHBondContact O-CB 3.41Å; N556-S560 PolarHBondContact O-N 3.36Å
557E97.8Very high95.8Very high68 Ų6824.7 Ų24.732%0.31812%0.123SC..Hα-helixtrans-61.8-48.1175.5-73-58.6154.600111.7T553 A554 T559 S560 V561T553-E557 WeakPolarHBondContact O-CG 3.43Å; T553-E557 PolarHBondContact O-N 3.46Å; A554-E557 PolarHBondContact O-N 3.27Å; E557-T559 VanDerWaalsContact C-N 3.35Å; E557-T559 PolarHBondContact O-N 2.92Å; E557-S560 PolarHBondContact O-N 3.15Å; E557-V561 WeakPolarHBondContact O-CG2 3.41Å; E557-V561 PolarHBondContact O-N 3.34Å
558I98.2Very high95.9Very high1 Ų126.4 Ų26.41%0.00514%0.138CC..Hα-helixtrans-58.7-50.4176.1-62.5161.1000109.3A554 S560 V561 L562 T581 L589 S593 L668 Q672A554-I558 WeakPolarHBondContact O-CD1 3.26Å; A554-I558 VanDerWaalsContact O-CG1 3.23Å; A554-I558 WeakPolarHBondContact O-CG1 3.35Å; A554-I558 PolarHBondContact O-N 3.43Å; I558-S560 VanDerWaalsContact C-N 3.3Å; I558-S560 PolarHBondContact O-N 3.09Å; I558-V561 CarbonylContact O-C 3.49Å; I558-V561 PolarHBondContact O-N 3.01Å; I558-L562 HydrophobicContact CG2-CD1 4.14Å; I558-L562 HydrophobicContact CG2-CG 4.12Å; I558-L562 VanDerWaalsContact O-CG 3.3Å; I558-L562 WeakPolarHBondContact O-CG 3.08Å; I558-L562 PolarHBondContact O-N 2.91Å; I558-T581 HydrophobicContact CD1-CG2 4.11Å; I558-T581 HydrophobicContact CG2-CG2 4.04Å; I558-L589 HydrophobicContact CD1-CB 3.99Å; I558-L589 HydrophobicContact CD1-CD1 4.2Å; I558-L589 HydrophobicContact CD1-CD2 4.01Å; I558-L589 HydrophobicContact CD1-CG 4.3Å; I558-S593 VanDerWaalsContact CG2-CB 3.44Å; I558-S593 VanDerWaalsContact CG2-OG 3.27Å; I558-S593 WeakPolarHBondContact CG2-OG 3.39Å; I558-L668 HydrophobicContact CB-CD1 4.22Å; I558-L668 HydrophobicContact CG1-CD1 3.91Å; I558-L668 HydrophobicContact CG2-CD1 3.8Å; I558-Q672 HydrophobicContact CD1-CG 4.21Å; I558-Q672 HydrophobicContact CG1-CB 4.47Å; I558-Q672 HydrophobicContact CG1-CG 3.74Å
559T97.7Very high95.7Very high2 Ų226.5 Ų26.51%0.01214%0.138CC..Hα-helixtrans-57.5-42.1-179.2-620000112.1A309 R312 L555 N556 E557 L562 D563 A596A309-T559 HydrophobicContact CB-CG2 4.36Å; A309-T559 WeakPolarHBondContact CB-OG1 3.45Å; R312-T559 VanDerWaalsContact CZ-CG2 3.4Å; R312-T559 VanDerWaalsContact NH1-CG2 3.25Å; L555-T559 VanDerWaalsContact O-CB 3.23Å; L555-T559 WeakPolarHBondContact O-CB 3.08Å; L555-T559 PolarHBondContact O-N 3.41Å; L555-T559 PolarHBondContact O-OG1 3.25Å; N556-T559 PolarHBondContact O-N 3.14Å; E557-T559 VanDerWaalsContact C-N 3.35Å; E557-T559 PolarHBondContact O-N 2.92Å; T559-L562 PolarHBondContact O-N 3.24Å; T559-D563 PolarHBondContact O-N 3.36Å; T559-A596 HydrophobicContact CG2-CB 4.23Å
560S96.7Very high95.2Very high46 Ų4630.2 Ų30.232%0.32216%0.158SC..Hα-helixtrans-62.5-42.5175.1178.50000112.2N556 E557 I558 D563 K564N556-S560 WeakPolarHBondContact O-CB 3.41Å; N556-S560 PolarHBondContact O-N 3.36Å; E557-S560 PolarHBondContact O-N 3.15Å; I558-S560 VanDerWaalsContact C-N 3.3Å; I558-S560 PolarHBondContact O-N 3.09Å; S560-D563 PolarHBondContact O-N 3.16Å; S560-K564 WeakPolarHBondContact O-CG 3.2Å; S560-K564 PolarHBondContact O-N 2.87Å
561V96.8Very high94.6Very high28 Ų2833.3 Ų33.317%0.1719%0.19CC..Hα-helixtrans-66.1-41.7175.2176.70000111.3E557 I558 D563 K564 I565 L668E557-V561 WeakPolarHBondContact O-CG2 3.41Å; E557-V561 PolarHBondContact O-N 3.34Å; I558-V561 CarbonylContact O-C 3.49Å; I558-V561 PolarHBondContact O-N 3.01Å; V561-D563 VanDerWaalsContact C-N 3.26Å; V561-D563 PolarHBondContact O-N 2.95Å; V561-K564 WeakPolarHBondContact O-CB 2.96Å; V561-K564 PolarHBondContact O-N 3.35Å; V561-K564 VanDerWaalsContact O-N 3.13Å; V561-I565 HydrophobicContact CG1-CD1 3.66Å; V561-I565 HydrophobicContact CG1-CG1 4.12Å; V561-I565 WeakPolarHBondContact O-CG1 3.49Å; V561-I565 PolarHBondContact O-N 3.42Å; V561-L668 HydrophobicContact CB-CD2 4.25Å; V561-L668 HydrophobicContact CG1-CD2 3.5Å; V561-L668 VanDerWaalsContact CG1-CD2 3.5Å
562L96.7Very high94Very high0 Ų036.9 Ų36.90%021%0.212CC..Hα-helixtrans-58.8-39175.8-66-177.2000111.6I558 T559 I565 K566 V579 S593 L633 L635I558-L562 HydrophobicContact CG2-CD1 4.14Å; I558-L562 HydrophobicContact CG2-CG 4.12Å; I558-L562 VanDerWaalsContact O-CG 3.3Å; I558-L562 WeakPolarHBondContact O-CG 3.08Å; I558-L562 PolarHBondContact O-N 2.91Å; T559-L562 PolarHBondContact O-N 3.24Å; L562-I565 PolarHBondContact O-N 3.36Å; L562-K566 WeakPolarHBondContact O-CB 3.34Å; L562-K566 VanDerWaalsContact O-CE 3.25Å; L562-K566 WeakPolarHBondContact O-CE 3.45Å; L562-K566 VanDerWaalsContact O-CG 3.22Å; L562-K566 WeakPolarHBondContact O-CG 3.35Å; L562-K566 PolarHBondContact O-N 3.38Å; L562-V579 HydrophobicContact CD2-CB 4.15Å; L562-V579 HydrophobicContact CD2-CG1 3.99Å; L562-V579 HydrophobicContact CD2-CG2 3.89Å; L562-S593 VanDerWaalsContact CD1-O 3.31Å; L562-S593 WeakPolarHBondContact CD1-O 3.17Å; L562-L633 HydrophobicContact CB-CD2 4.39Å; L562-L633 HydrophobicContact CD1-CD2 4.27Å; L562-L633 HydrophobicContact CD2-CD1 3.92Å; L562-L633 HydrophobicContact CD2-CD2 4.08Å; L562-L633 HydrophobicContact CG-CD2 4.47Å; L562-L635 HydrophobicContact CD1-CD1 4.1Å; L562-L635 HydrophobicContact CD1-CD2 4.17Å; L562-L635 HydrophobicContact CD2-CD1 4.16Å
563D95.5Very high93.3Very high27 Ų2743.1 Ų43.114%0.14424%0.238CC..Hα-helixtrans-62.7-43.6175.4-69.5-21000112.3Q80 R312 T559 S560 V561 K566 Q567Q80-D563 VanDerWaalsContact CB-OD1 3.27Å; Q80-D563 WeakPolarHBondContact CB-OD1 3.46Å; Q80-D563 WeakPolarHBondContact CB-OD2 3.24Å; R312-D563 IonicContact CZ-OD2 2.81Å; R312-D563 VanDerWaalsContact NH1-CG 3.32Å; R312-D563 IonicContact NH1-OD1 3.7Å; R312-D563 PolarHBondContact NH1-OD1 2.97Å; R312-D563 IonicContact NH1-OD2 3.49Å; R312-D563 PolarHBondContact NH1-OD2 2.75Å; R312-D563 IonicContact NH2-OD2 3.73Å; R312-D563 PolarHBondContact NH2-OD2 2.71Å; T559-D563 PolarHBondContact O-N 3.36Å; S560-D563 PolarHBondContact O-N 3.16Å; V561-D563 VanDerWaalsContact C-N 3.26Å; V561-D563 PolarHBondContact O-N 2.95Å; D563-K566 PolarHBondContact O-N 3.4Å; D563-K566 WeakPolarHBondContact OD1-CE 3.39Å; D563-K566 IonicContact OD1-NZ 3.6Å; D563-K566 PolarHBondContact OD1-NZ 3.34Å; D563-Q567 PolarHBondContact O-N 3.31Å
564K94.9Very high92.9Very high135 Ų13548.1 Ų48.159%0.58726%0.257SS*.Hα-helixtrans-63.5-43.1175.9-64.1166.1-170167.70111.6S560 V561 Q567 S568S560-K564 WeakPolarHBondContact O-CG 3.2Å; S560-K564 PolarHBondContact O-N 2.87Å; V561-K564 WeakPolarHBondContact O-CB 2.96Å; V561-K564 PolarHBondContact O-N 3.35Å; V561-K564 VanDerWaalsContact O-N 3.13Å; K564-Q567 PolarHBondContact O-N 3.09Å; K564-S568 PolarHBondContact O-N 3.48Å
565I93.2Very high92.7Very high12 Ų1250 Ų506%0.06226%0.264CS..Hα-helixtrans-65.1-45.1177.7-69.8174.2000110.8V561 L562 Q567 S568 A569 F577 V579 N666V561-I565 HydrophobicContact CG1-CD1 3.66Å; V561-I565 HydrophobicContact CG1-CG1 4.12Å; V561-I565 WeakPolarHBondContact O-CG1 3.49Å; V561-I565 PolarHBondContact O-N 3.42Å; L562-I565 PolarHBondContact O-N 3.36Å; I565-Q567 VanDerWaalsContact C-N 3.28Å; I565-Q567 PolarHBondContact O-N 3.02Å; I565-S568 WeakPolarHBondContact O-CB 3.34Å; I565-S568 PolarHBondContact O-N 2.94Å; I565-S568 VanDerWaalsContact O-N 3.12Å; I565-A569 PolarHBondContact O-N 3.34Å; I565-F577 HydrophobicContact CG2-CB 3.61Å; I565-F577 HydrophobicContact CG2-CD1 3.51Å; I565-F577 HydrophobicContact CG2-CD2 3.34Å; I565-F577 HydrophobicContact CG2-CE1 3.91Å; I565-F577 HydrophobicContact CG2-CE2 3.75Å; I565-F577 HydrophobicContact CG2-CG 3.18Å; I565-F577 HydrophobicContact CG2-CZ 4.02Å; I565-V579 HydrophobicContact CD1-CG2 3.97Å; I565-N666 HydrophobicContact CD1-CB 4.05Å
566K91.5Very high92.5Very high5 Ų549.7 Ų49.72%0.02226%0.262CS..Hα-helixtrans-58.6-41.1175.1-77178.8-64-179.50111.4L562 D563 S568 A569 L570 G597 L633L562-K566 WeakPolarHBondContact O-CB 3.34Å; L562-K566 VanDerWaalsContact O-CE 3.25Å; L562-K566 WeakPolarHBondContact O-CE 3.45Å; L562-K566 VanDerWaalsContact O-CG 3.22Å; L562-K566 WeakPolarHBondContact O-CG 3.35Å; L562-K566 PolarHBondContact O-N 3.38Å; D563-K566 PolarHBondContact O-N 3.4Å; D563-K566 WeakPolarHBondContact OD1-CE 3.39Å; D563-K566 IonicContact OD1-NZ 3.6Å; D563-K566 PolarHBondContact OD1-NZ 3.34Å; K566-S568 VanDerWaalsContact C-N 3.34Å; K566-S568 PolarHBondContact O-N 3.16Å; K566-A569 WeakPolarHBondContact O-CB 3.43Å; K566-A569 PolarHBondContact O-N 3.35Å; K566-L570 WeakPolarHBondContact O-CG 3.42Å; K566-L570 PolarHBondContact O-N 3.22Å; K566-G597 PolarHBondContact NZ-O 3.01Å; K566-L633 HydrophobicContact CD-CD2 4.25Å; K566-L633 HydrophobicContact CG-CD2 4.29Å
567Q90.6Very high92.4Very high128 Ų12849.2 Ų49.260%0.59826%0.259SS*.Hα-helixtrans-63-40.8176.3-17362.116.700111.8D563 K564 I565 L570 G571D563-Q567 PolarHBondContact O-N 3.31Å; K564-Q567 PolarHBondContact O-N 3.09Å; I565-Q567 VanDerWaalsContact C-N 3.28Å; I565-Q567 PolarHBondContact O-N 3.02Å; Q567-L570 PolarHBondContact O-N 3.47Å; Q567-G571 PolarHBondContact O-N 2.95Å
568S91.8Very high92.3Very high61 Ų6146 Ų4643%0.42724%0.244SC..Hα-helixtrans-61-42.9173.2-178.20000112.3K564 I565 K566 L570 G571 T572K564-S568 PolarHBondContact O-N 3.48Å; I565-S568 WeakPolarHBondContact O-CB 3.34Å; I565-S568 PolarHBondContact O-N 2.94Å; I565-S568 VanDerWaalsContact O-N 3.12Å; K566-S568 VanDerWaalsContact C-N 3.34Å; K566-S568 PolarHBondContact O-N 3.16Å; S568-L570 VanDerWaalsContact C-N 3.35Å; S568-L570 PolarHBondContact O-N 3.41Å; S568-G571 PolarHBondContact O-N 3.28Å; S568-T572 PolarHBondContact O-N 2.84Å
569A88.3Confident92.3Very high1 Ų146 Ų461%0.00824%0.244CC..Hα-helixtrans-61.5-41.1176.300000112.4I565 K566 G571 T572 K573 R575 F577 R631I565-A569 PolarHBondContact O-N 3.34Å; K566-A569 WeakPolarHBondContact O-CB 3.43Å; K566-A569 PolarHBondContact O-N 3.35Å; A569-G571 VanDerWaalsContact C-N 3.28Å; A569-G571 PolarHBondContact O-N 2.91Å; A569-T572 PolarHBondContact O-N 3.21Å; A569-K573 WeakPolarHBondContact O-CA 3.29Å; A569-K573 PolarHBondContact O-N 2.83Å; A569-R575 HydrophobicContact CB-CB 4.31Å; A569-F577 HydrophobicContact CB-CD2 3.99Å; A569-F577 HydrophobicContact CB-CE2 3.77Å; A569-R631 HydrophobicContact CB-CB 3.96Å
570L84.6Confident92.2Very high79 Ų7947.8 Ų47.841%0.41425%0.252SS..Hα-helixtrans-63.4-34.5177-71.8172.5000112.4K566 Q567 S568 R631K566-L570 WeakPolarHBondContact O-CG 3.42Å; K566-L570 PolarHBondContact O-N 3.22Å; Q567-L570 PolarHBondContact O-N 3.47Å; S568-L570 VanDerWaalsContact C-N 3.35Å; S568-L570 PolarHBondContact O-N 3.41Å; L570-R631 HydrophobicContact CD2-CG 4.43Å
571G84.7Confident92.3Very high65 Ų6545.7 Ų45.767%0.6724%0.238SC*.Hα-helixtrans-68.1-42.417800000113.4Q567 S568 A569Q567-G571 PolarHBondContact O-N 2.95Å; S568-G571 PolarHBondContact O-N 3.28Å; A569-G571 VanDerWaalsContact C-N 3.28Å; A569-G571 PolarHBondContact O-N 2.91Å
572T84.4Confident92.3Very high75 Ų7546.4 Ų46.446%0.4624%0.24SC..Hα-helixtrans-83.2-25180-45.40000112.6S568 A569 R575S568-T572 PolarHBondContact O-N 2.84Å; A569-T572 PolarHBondContact O-N 3.21Å; T572-R575 VanDerWaalsContact CG2-NH2 3.33Å; T572-R575 PolarHBondContact OG1-NH1 2.83Å; T572-R575 VanDerWaalsContact OG1-NH1 3.08Å
573K82.4Confident92.2Very high140 Ų14046.5 Ų46.561%0.60924%0.24SC*.SBendtrans59.7154.1-168.8-55.7179.1-178.9177.50112.1A569 R575 K630A569-K573 WeakPolarHBondContact O-CA 3.29Å; A569-K573 PolarHBondContact O-N 2.83Å; K573-R575 VanDerWaalsContact C-N 3.33Å; K573-R575 PolarHBondContact O-N 3.3Å; K573-K630 HydrophobicContact CB-CB 4.31Å
574R90.8Very high92.1Very high108 Ų10846.4 Ų46.441%0.40825%0.246SC..SBendtrans5546.3175-64.2-179.9173-146.6-3.2112.6I625 K630 I660 F661 D662R574-I625 HydrophobicContact CB-CG2 4.07Å; R574-I625 HydrophobicContact CG-CG2 3.84Å; R574-K630 WeakPolarHBondContact CA-O 3.41Å; R574-K630 HydrophobicContact CG-CD 4.39Å; R574-K630 PolarHBondContact N-O 3.05Å; R574-I660 WeakPolarHBondContact CB-O 3.31Å; R574-I660 WeakPolarHBondContact CD-O 3.36Å; R574-F661 CarbonylContact O-C 3.46Å; R574-F661 WeakPolarHBondContact O-CA 3.41Å; R574-F661 WeakPolarHBondContact O-CB 3.46Å; R574-D662 PolarHBondContact O-N 3.33Å
575R93.2Very high92.1Very high39 Ų3942.8 Ų42.815%0.14723%0.229CC..EExtended strand (participates in β ladder)trans-124.2136.6179.7-176.9161.5-70.2165.1-0.5112.1A569 T572 K573 F577 R631 G632 D662A569-R575 HydrophobicContact CB-CB 4.31Å; T572-R575 VanDerWaalsContact CG2-NH2 3.33Å; T572-R575 PolarHBondContact OG1-NH1 2.83Å; T572-R575 VanDerWaalsContact OG1-NH1 3.08Å; K573-R575 VanDerWaalsContact C-N 3.33Å; K573-R575 PolarHBondContact O-N 3.3Å; R575-F577 HydrophobicContact CG-CD2 4.03Å; R575-F577 HydrophobicContact CG-CE2 3.69Å; R575-F577 HydrophobicContact CG-CZ 4.28Å; R575-R631 WeakPolarHBondContact O-CA 3.3Å; R575-G632 PolarHBondContact O-N 3.03Å; R575-D662 VanDerWaalsContact CA-OD1 3.28Å; R575-D662 WeakPolarHBondContact CA-OD1 3.18Å; R575-D662 WeakPolarHBondContact CB-OD1 3.33Å; R575-D662 WeakPolarHBondContact CG-OD1 3.24Å; R575-D662 IonicContact CZ-OD1 3.23Å; R575-D662 IonicContact CZ-OD2 2.89Å; R575-D662 VanDerWaalsContact CZ-OD2 3.23Å; R575-D662 VanDerWaalsContact NE-CG 3.33Å; R575-D662 IonicContact NE-OD1 3.02Å; R575-D662 PolarHBondContact NE-OD1 3.32Å; R575-D662 IonicContact NE-OD2 2.68Å; R575-D662 PolarHBondContact NE-OD2 3.13Å; R575-D662 IonicContact NH2-OD1 2.66Å; R575-D662 IonicContact NH2-OD2 3.55Å; R575-D662 PolarHBondContact NH2-OD2 3.04Å
576V94.9Very high92.2Very high0 Ų042.2 Ų42.20%023%0.226CC..EExtended strand (participates in β ladder)trans-108.5136171-179.70000109.2L621 I625 G632 V634 Y653 F661 D662 C663 R664V576-L621 HydrophobicContact CG1-CD1 4.08Å; V576-L621 HydrophobicContact CG2-CD1 4.29Å; V576-I625 HydrophobicContact CG2-CD1 3.62Å; V576-G632 WeakPolarHBondContact CA-O 3.26Å; V576-V634 HydrophobicContact CG1-CG2 4.24Å; V576-Y653 HydrophobicContact CG1-CD2 4.2Å; V576-F661 HydrophobicContact CB-CD2 3.98Å; V576-F661 HydrophobicContact CB-CE2 4.07Å; V576-F661 HydrophobicContact CG2-CB 4.24Å; V576-F661 HydrophobicContact CG2-CD1 4.09Å; V576-F661 HydrophobicContact CG2-CD2 3.36Å; V576-F661 HydrophobicContact CG2-CE1 4.21Å; V576-F661 HydrophobicContact CG2-CE2 3.54Å; V576-F661 HydrophobicContact CG2-CG 3.65Å; V576-F661 HydrophobicContact CG2-CZ 3.97Å; V576-D662 PolarHBondContact N-O 3.48Å; V576-C663 CarbonylContact O-C 3.13Å; V576-C663 WeakPolarHBondContact O-CA 3.44Å; V576-R664 PolarHBondContact O-N 2.9Å
577F95.9Very high92.4Very high14 Ų1442 Ų426%0.06123%0.225CC..EExtended strand (participates in β ladder)trans-112.7129.6170.8-79.2-87.8000110.4I565 A569 R575 V579 G632 L633 V634 R664 N666I565-F577 HydrophobicContact CG2-CB 3.61Å; I565-F577 HydrophobicContact CG2-CD1 3.51Å; I565-F577 HydrophobicContact CG2-CD2 3.34Å; I565-F577 HydrophobicContact CG2-CE1 3.91Å; I565-F577 HydrophobicContact CG2-CE2 3.75Å; I565-F577 HydrophobicContact CG2-CG 3.18Å; I565-F577 HydrophobicContact CG2-CZ 4.02Å; A569-F577 HydrophobicContact CB-CD2 3.99Å; A569-F577 HydrophobicContact CB-CE2 3.77Å; R575-F577 HydrophobicContact CG-CD2 4.03Å; R575-F577 HydrophobicContact CG-CE2 3.69Å; R575-F577 HydrophobicContact CG-CZ 4.28Å; F577-V579 HydrophobicContact CB-CG2 4.32Å; F577-G632 PolarHBondContact N-O 3.48Å; F577-G632 VanDerWaalsContact N-O 3.12Å; F577-L633 HydrophobicContact CB-CD1 4.21Å; F577-V634 PolarHBondContact O-N 3.28Å; F577-R664 CarbonylContact C-O 3.45Å; F577-R664 WeakPolarHBondContact CA-O 3.44Å; F577-R664 HydrophobicContact CD1-CB 3.63Å; F577-R664 HydrophobicContact CE1-CB 3.52Å; F577-R664 HydrophobicContact CE1-CG 4.16Å; F577-R664 HydrophobicContact CG-CB 4.45Å; F577-R664 HydrophobicContact CZ-CB 4.27Å; F577-R664 HydrophobicContact CZ-CG 4.5Å; F577-N666 WeakPolarHBondContact CD1-OD1 2.83Å
578V96.2Very high92.7Very high0 Ų036.1 Ų36.10%020%0.197CC..EExtended strand (participates in β ladder)trans-96.6119.4165.1-179.90000107.2V634 I649 R664 C665 N666V578-V634 CarbonylContact C-O 3.45Å; V578-V634 WeakPolarHBondContact CA-O 3.43Å; V578-V634 HydrophobicContact CG2-CB 4.37Å; V578-I649 HydrophobicContact CG1-CB 4.41Å; V578-I649 HydrophobicContact CG1-CG2 4.15Å; V578-I649 HydrophobicContact CG2-CG2 3.8Å; V578-R664 PolarHBondContact N-O 3.33Å; V578-C665 CarbonylContact O-C 3.54Å; V578-C665 WeakPolarHBondContact O-CA 3.4Å; V578-N666 PolarHBondContact O-N 3.24Å
579V97Very high93Very high0 Ų033.2 Ų33.20%018%0.177CC..EExtended strand (participates in β ladder)trans-115.7119-176.6-176.10000109.3L562 I565 F577 L633 V634 L635 R636 N666 L668L562-V579 HydrophobicContact CD2-CB 4.15Å; L562-V579 HydrophobicContact CD2-CG1 3.99Å; L562-V579 HydrophobicContact CD2-CG2 3.89Å; I565-V579 HydrophobicContact CD1-CG2 3.97Å; F577-V579 HydrophobicContact CB-CG2 4.32Å; V579-L633 HydrophobicContact CG2-CD1 3.76Å; V579-V634 PolarHBondContact N-O 2.93Å; V579-L635 HydrophobicContact CB-CG 4.42Å; V579-L635 CarbonylContact O-C 3.55Å; V579-L635 WeakPolarHBondContact O-CA 3.46Å; V579-R636 PolarHBondContact O-N 2.82Å; V579-N666 WeakPolarHBondContact CA-O 3.23Å; V579-N666 HydrophobicContact CG2-CB 4.43Å; V579-L668 HydrophobicContact CG1-CD1 3.77Å; V579-L668 HydrophobicContact CG1-CD2 3.93Å; V579-L668 HydrophobicContact CG1-CG 3.7Å
580E97Very high93.4Very high41 Ų4133.2 Ų33.219%0.19218%0.177CC..EExtended strand (participates in β ladder)trans-89121.2175.2-169-178.7102.900109.9R636 D638 S646 N666 V667 L668E580-R636 WeakPolarHBondContact CA-O 3.48Å; E580-R636 HydrophobicContact CG-CG 4.44Å; E580-R636 IonicContact OE2-NE 2.71Å; E580-D638 HydrophobicContact CG-CB 4.32Å; E580-S646 WeakPolarHBondContact OE2-CB 3.38Å; E580-S646 PolarHBondContact OE2-OG 3.22Å; E580-N666 PolarHBondContact N-O 2.96Å; E580-V667 HydrophobicContact CB-CB 4.45Å; E580-V667 HydrophobicContact CB-CG1 4.4Å; E580-V667 HydrophobicContact CB-CG2 4.1Å; E580-V667 WeakPolarHBondContact OE1-CG1 3.49Å; E580-L668 PolarHBondContact O-N 3.19Å
581T97.2Very high94Very high2 Ų229.5 Ų29.51%0.01216%0.157CC..EExtended strand (participates in β ladder)trans-98.4152.8171.961.80000110.2I558 A590 L635 R636 D638 L668 Q672I558-T581 HydrophobicContact CD1-CG2 4.11Å; I558-T581 HydrophobicContact CG2-CG2 4.04Å; T581-A590 WeakPolarHBondContact OG1-CA 3.32Å; T581-A590 WeakPolarHBondContact OG1-CB 3.5Å; T581-A590 PolarHBondContact OG1-N 3.36Å; T581-L635 HydrophobicContact CG2-CD2 3.93Å; T581-R636 PolarHBondContact N-O 3.46Å; T581-R636 PolarHBondContact OG1-O 3.13Å; T581-D638 PolarHBondContact O-N 3.25Å; T581-L668 HydrophobicContact CG2-CD1 4.46Å; T581-Q672 VanDerWaalsContact CA-OE1 3.28Å
582M96.6Very high94.7Very high43 Ų4326.6 Ų26.621%0.21213%0.127CC..PPolyproline II helixtrans-70.9172.7165.4-75.8171.784.100109.5I538 L589 G669I538-M582 HydrophobicContact CD1-CB 4.04Å; I538-M582 HydrophobicContact CD1-CE 4.31Å; I538-M582 HydrophobicContact CD1-SD 4.08Å; M582-L589 WeakPolarHBondContact O-CD1 3.01Å; M582-G669 VanDerWaalsContact SD-O 3.37Å
583G94.9Very high95.3Very high1 Ų123 Ų231%0.0111%0.105CC..  trans154.8-18179.300000112.1S539 C586S539-G583 WeakPolarHBondContact CB-O 3.25Å; S539-G583 WeakPolarHBondContact OG-CA 3.5Å; S539-G583 PolarHBondContact OG-O 3.25Å; G583-C586 WeakPolarHBondContact O-CB 3.36Å; G583-C586 PolarHBondContact O-N 3.44Å
584G93.7Very high96Very high25 Ų2516.3 Ų16.326%0.2588%0.076SC..THydrogen-bonded Turntrans64.5-136-16400000108.2C586 D638 M639G584-C586 PolarHBondContact O-N 2.92Å; G584-D638 VanDerWaalsContact CA-OD1 3.22Å; G584-D638 WeakPolarHBondContact CA-OD1 3.49Å; G584-D638 PolarHBondContact N-OD1 2.91Å; G584-D638 PolarHBondContact N-OD2 2.91Å; G584-M639 WeakPolarHBondContact O-CB 3.5Å
585Y94.7Very high96.3Very high59 Ų5911.4 Ų11.423%0.2316%0.057CC..THydrogen-bonded Turntrans-76.5-1173.6-64.9-79.5000113.2F605 M639 H744Y585-F605 HydrophobicContact CD1-CB 4.32Å; Y585-F605 HydrophobicContact CD1-CD1 4.16Å; Y585-F605 AromaticContact CD1-CD2 3.55Å; Y585-F605 HydrophobicContact CD1-CD2 3.55Å; Y585-F605 HydrophobicContact CD1-CE1 4.36Å; Y585-F605 AromaticContact CD1-CE2 3.78Å; Y585-F605 HydrophobicContact CD1-CE2 3.78Å; Y585-F605 AromaticContact CD1-CG 3.75Å; Y585-F605 HydrophobicContact CD1-CG 3.75Å; Y585-F605 HydrophobicContact CD1-CZ 4.19Å; Y585-F605 HydrophobicContact CE1-CD2 4.13Å; Y585-F605 HydrophobicContact CE1-CE2 4.09Å; Y585-F605 HydrophobicContact CG-CD1 4.47Å; Y585-F605 HydrophobicContact CG-CG 4.41Å; Y585-F605 WeakPolarHBondContact O-CB 3.41Å; Y585-M639 HydrophobicContact CD1-CB 3.78Å; Y585-M639 HydrophobicContact CD2-CB 4.38Å; Y585-M639 HydrophobicContact CE1-CB 3.82Å; Y585-M639 HydrophobicContact CE2-CB 4.41Å; Y585-M639 HydrophobicContact CE2-CE 4.39Å; Y585-M639 HydrophobicContact CG-CB 4.08Å; Y585-H744 HydrophobicContact CD2-CB 3.96Å; Y585-H744 WeakPolarHBondContact CD2-O 3.49Å; Y585-H744 HydrophobicContact CG-CB 3.98Å
586C95.6Very high96.5Very high1 Ų19.5 Ų9.51%0.0075%0.05CC..  trans-89.6117.7-178.5-170.70000111S539 N541 G583 G584 Y588 E606 L746S539-C586 PolarHBondContact O-SG 3.17Å; N541-C586 HydrophobicContact CB-CB 3.76Å; G583-C586 WeakPolarHBondContact O-CB 3.36Å; G583-C586 PolarHBondContact O-N 3.44Å; G584-C586 PolarHBondContact O-N 2.92Å; C586-Y588 PolarHBondContact O-N 3.15Å; C586-E606 VanDerWaalsContact CA-OE1 3.31Å; C586-E606 WeakPolarHBondContact CA-OE1 3.47Å; C586-L746 HydrophobicContact CB-CD2 3.48Å; C586-L746 VanDerWaalsContact CB-CD2 3.48Å
587G96.2Very high96.6Very high0 Ų09.5 Ų9.50%05%0.05CC..  trans-76.51.2179.600000115.6L589 A590 T591 E606G587-L589 PolarHBondContact O-N 3.08Å; G587-A590 PolarHBondContact O-N 3.49Å; G587-T591 VanDerWaalsContact O-CB 3.32Å; G587-T591 WeakPolarHBondContact O-CB 3.42Å; G587-T591 PolarHBondContact O-N 3.33Å; G587-T591 PolarHBondContact O-OG1 3.12Å; G587-E606 WeakPolarHBondContact CA-OE2 3.45Å; G587-E606 VanDerWaalsContact N-CD 3.34Å; G587-E606 PolarHBondContact N-OE1 2.93Å; G587-E606 PolarHBondContact N-OE2 3.12Å; G587-E606 VanDerWaalsContact N-OE2 3.11Å
588Y97.2Very high96.5Very high4 Ų49.4 Ų9.42%0.0165%0.053CC..Hα-helixtrans-53.7-56-175.6173.5-97.6000112.1N540 C551 C586 A590 T591 M592 W751 W752N540-Y588 HydrophobicContact CB-CD1 3.61Å; N540-Y588 HydrophobicContact CB-CD2 4.17Å; N540-Y588 HydrophobicContact CB-CE1 4Å; N540-Y588 HydrophobicContact CB-CE2 4.48Å; N540-Y588 HydrophobicContact CB-CG 3.72Å; N540-Y588 WeakPolarHBondContact ND2-CE2 3.3Å; C551-Y588 HydrophobicContact CB-CE1 3.85Å; C586-Y588 PolarHBondContact O-N 3.15Å; Y588-A590 PolarHBondContact O-N 2.92Å; Y588-T591 PolarHBondContact O-N 2.89Å; Y588-M592 HydrophobicContact CD2-CG 3.71Å; Y588-M592 HydrophobicContact CE1-CG 4.41Å; Y588-M592 HydrophobicContact CE2-CG 3.55Å; Y588-M592 HydrophobicContact CE2-SD 4.48Å; Y588-M592 HydrophobicContact CG-CG 4.26Å; Y588-M592 WeakPolarHBondContact O-CB 3.47Å; Y588-M592 VanDerWaalsContact O-CG 3.27Å; Y588-M592 WeakPolarHBondContact O-CG 3.34Å; Y588-M592 PolarHBondContact O-N 2.74Å; Y588-W751 AromaticContact CE2-CZ2 3.96Å; Y588-W751 HydrophobicContact CE2-CZ2 3.96Å; Y588-W752 HydrophobicContact CD2-CB 4.23Å; Y588-W752 AromaticContact CD2-CD1 3.48Å; Y588-W752 VanDerWaalsContact CD2-CD1 3.48Å; Y588-W752 HydrophobicContact CD2-CD2 4.12Å; Y588-W752 AromaticContact CD2-CG 3.67Å; Y588-W752 HydrophobicContact CD2-CG 3.67Å; Y588-W752 AromaticContact CD2-NE1 3.77Å; Y588-W752 HydrophobicContact CE2-CG 4.4Å
589L98Very high96.5Very high0 Ų09.6 Ų9.60%05%0.054CC..Hα-helixtrans-63.1-42.7-176.7-71.8-179.6000111.7I538 A554 I558 M582 G587 S593I538-L589 HydrophobicContact CB-CD1 4.31Å; I538-L589 HydrophobicContact CD1-CD1 4.29Å; I538-L589 HydrophobicContact CG1-CD1 4.21Å; I538-L589 WeakPolarHBondContact O-CD1 3.31Å; I538-L589 WeakPolarHBondContact O-CD2 3.41Å; I538-L589 WeakPolarHBondContact O-CG 3.47Å; A554-L589 HydrophobicContact CB-CD1 4.42Å; A554-L589 HydrophobicContact CB-CD2 3.97Å; I558-L589 HydrophobicContact CD1-CB 3.99Å; I558-L589 HydrophobicContact CD1-CD1 4.2Å; I558-L589 HydrophobicContact CD1-CD2 4.01Å; I558-L589 HydrophobicContact CD1-CG 4.3Å; M582-L589 WeakPolarHBondContact O-CD1 3.01Å; G587-L589 PolarHBondContact O-N 3.08Å; L589-S593 WeakPolarHBondContact O-CB 3.27Å; L589-S593 PolarHBondContact O-N 2.91Å; L589-S593 PolarHBondContact O-OG 2.11Å
590A97Very high96.4Very high1 Ų19.8 Ų9.81%0.0086%0.056CC..Hα-helixtrans-61.5-46.8177.400000111.4T581 G587 Y588 A594 I604 L635 A637T581-A590 WeakPolarHBondContact OG1-CA 3.32Å; T581-A590 WeakPolarHBondContact OG1-CB 3.5Å; T581-A590 PolarHBondContact OG1-N 3.36Å; G587-A590 PolarHBondContact O-N 3.49Å; Y588-A590 PolarHBondContact O-N 2.92Å; A590-A594 WeakPolarHBondContact O-CB 3.47Å; A590-A594 PolarHBondContact O-N 3.28Å; A590-I604 HydrophobicContact CB-CG2 3.83Å; A590-L635 WeakPolarHBondContact O-CD2 3.31Å; A590-A637 HydrophobicContact CB-CB 4.27Å
591T97.4Very high96.3Very high1 Ų18.1 Ų8.11%0.0065%0.048CC..Hα-helixtrans-70.7-51.5-176.3-58.40000111.9G587 Y588 S593 A594 L595 W752 R756G587-T591 VanDerWaalsContact O-CB 3.32Å; G587-T591 WeakPolarHBondContact O-CB 3.42Å; G587-T591 PolarHBondContact O-N 3.33Å; G587-T591 PolarHBondContact O-OG1 3.12Å; Y588-T591 PolarHBondContact O-N 2.89Å; T591-S593 PolarHBondContact O-N 3.47Å; T591-A594 WeakPolarHBondContact O-CB 3.4Å; T591-A594 PolarHBondContact O-N 3.23Å; T591-L595 PolarHBondContact O-N 2.8Å; T591-W752 HydrophobicContact CG2-CE3 4.06Å; T591-W752 HydrophobicContact CG2-CZ3 4.4Å; T591-W752 WeakPolarHBondContact OG1-CZ3 3.12Å; T591-R756 HydrophobicContact CG2-CG 4.11Å
592M97.6Very high96.2Very high4 Ų48.1 Ų8.12%0.025%0.049CC..Hα-helixtrans-67.1-39.4-177.1-61.3-52.9-67.900111.1I313 L555 Y588 A594 L595 A596 W751 W752 L755I313-M592 HydrophobicContact CD1-CB 4.33Å; I313-M592 HydrophobicContact CD1-CE 3.69Å; I313-M592 HydrophobicContact CG1-CE 4.31Å; I313-M592 HydrophobicContact CG2-CE 3.83Å; L555-M592 HydrophobicContact CD1-CB 3.77Å; L555-M592 HydrophobicContact CD2-CB 4.13Å; Y588-M592 HydrophobicContact CD2-CG 3.71Å; Y588-M592 HydrophobicContact CE1-CG 4.41Å; Y588-M592 HydrophobicContact CE2-CG 3.55Å; Y588-M592 HydrophobicContact CE2-SD 4.48Å; Y588-M592 HydrophobicContact CG-CG 4.26Å; Y588-M592 WeakPolarHBondContact O-CB 3.47Å; Y588-M592 VanDerWaalsContact O-CG 3.27Å; Y588-M592 WeakPolarHBondContact O-CG 3.34Å; Y588-M592 PolarHBondContact O-N 2.74Å; M592-A594 VanDerWaalsContact C-N 3.32Å; M592-A594 PolarHBondContact O-N 3.03Å; M592-L595 PolarHBondContact O-N 3.41Å; M592-A596 WeakPolarHBondContact O-CB 3.47Å; M592-A596 PolarHBondContact O-N 2.95Å; M592-W751 HydrophobicContact CE-CH2 3.87Å; M592-W751 HydrophobicContact CE-CZ3 4.4Å; M592-W751 HydrophobicContact SD-CH2 4.39Å; M592-W752 HydrophobicContact SD-CB 3.8Å; M592-L755 HydrophobicContact CE-CD1 3.75Å; M592-L755 HydrophobicContact SD-CD1 3.86Å
593S97.8Very high96.2Very high0 Ų06.5 Ų6.50%04%0.04CC..Hα-helixtrans-69.1-31.1175.2-56.70000112.2L555 I558 L562 L589 T591 G597L555-S593 VanDerWaalsContact CD1-OG 3.23Å; L555-S593 WeakPolarHBondContact CD1-OG 3.34Å; I558-S593 VanDerWaalsContact CG2-CB 3.44Å; I558-S593 VanDerWaalsContact CG2-OG 3.27Å; I558-S593 WeakPolarHBondContact CG2-OG 3.39Å; L562-S593 VanDerWaalsContact CD1-O 3.31Å; L562-S593 WeakPolarHBondContact CD1-O 3.17Å; L589-S593 WeakPolarHBondContact O-CB 3.27Å; L589-S593 PolarHBondContact O-N 2.91Å; L589-S593 PolarHBondContact O-OG 2.11Å; T591-S593 PolarHBondContact O-N 3.47Å; S593-G597 VanDerWaalsContact O-CA 3.32Å; S593-G597 WeakPolarHBondContact O-CA 3.22Å; S593-G597 PolarHBondContact O-N 3.45Å
594A97.5Very high96.2Very high0 Ų06.5 Ų6.50%04%0.04CC..Hα-helixtrans-66.5-43.1174.700000111A590 T591 M592 G598 A599 A602 L635 M759A590-A594 WeakPolarHBondContact O-CB 3.47Å; A590-A594 PolarHBondContact O-N 3.28Å; T591-A594 WeakPolarHBondContact O-CB 3.4Å; T591-A594 PolarHBondContact O-N 3.23Å; M592-A594 VanDerWaalsContact C-N 3.32Å; M592-A594 PolarHBondContact O-N 3.03Å; A594-G598 WeakPolarHBondContact O-CA 3.2Å; A594-G598 PolarHBondContact O-N 3.35Å; A594-A599 HydrophobicContact CB-CB 3.76Å; A594-A599 PolarHBondContact O-N 3.3Å; A594-A602 HydrophobicContact CB-CB 3.74Å; A594-L635 HydrophobicContact CB-CB 4.29Å; A594-L635 HydrophobicContact CB-CD1 4.23Å; A594-L635 HydrophobicContact CB-CD2 4.23Å; A594-L635 HydrophobicContact CB-CG 4.5Å; A594-M759 HydrophobicContact CB-CG 4.18Å; A594-M759 HydrophobicContact CB-SD 3.48Å; A594-M759 WeakPolarHBondContact CB-SD 3.44Å
595L97.2Very high96.2Very high4 Ų48.2 Ų8.22%0.0214%0.041CC..Hα-helixtrans-64.3-49.2174.7-175.759.8000111.7I313 T591 M592 G597 G598 L755 L758 M759I313-L595 HydrophobicContact CG1-CD2 4.3Å; I313-L595 HydrophobicContact CG1-CG 4.34Å; I313-L595 HydrophobicContact CG2-CD2 4.04Å; T591-L595 PolarHBondContact O-N 2.8Å; M592-L595 PolarHBondContact O-N 3.41Å; L595-G597 VanDerWaalsContact C-N 3.33Å; L595-G597 PolarHBondContact O-N 2.86Å; L595-G598 PolarHBondContact O-N 3.06Å; L595-L755 HydrophobicContact CD2-CB 4.43Å; L595-L755 HydrophobicContact CD2-CD1 4.34Å; L595-L758 HydrophobicContact CD1-CD2 4.44Å; L595-L758 HydrophobicContact CD1-CG 4.24Å; L595-L758 HydrophobicContact CD2-CD2 4.37Å; L595-M759 HydrophobicContact CD1-CB 4.33Å
596A97.5Very high96.1Very high0 Ų07.7 Ų7.70%04%0.041CC..Hα-helixtrans-66.8-31.1178.100000113.5L79 A309 R312 I313 T559 M592L79-A596 WeakPolarHBondContact CD2-O 3.39Å; A309-A596 HydrophobicContact CB-CB 4.17Å; R312-A596 HydrophobicContact CB-CB 4.39Å; R312-A596 WeakPolarHBondContact CD-O 3.33Å; I313-A596 HydrophobicContact CD1-CB 3.99Å; I313-A596 HydrophobicContact CG1-CB 3.93Å; T559-A596 HydrophobicContact CG2-CB 4.23Å; M592-A596 WeakPolarHBondContact O-CB 3.47Å; M592-A596 PolarHBondContact O-N 2.95Å
597G96Very high95.9Very high0 Ų010.8 Ų10.80%06%0.055CC..Hα-helixtrans-83.8-19.7178.800000113.6K566 S593 L595K566-G597 PolarHBondContact NZ-O 3.01Å; S593-G597 VanDerWaalsContact O-CA 3.32Å; S593-G597 WeakPolarHBondContact O-CA 3.22Å; S593-G597 PolarHBondContact O-N 3.45Å; L595-G597 VanDerWaalsContact C-N 3.33Å; L595-G597 PolarHBondContact O-N 2.86Å
598G95Very high95.4Very high12 Ų1216.4 Ų16.412%0.1249%0.091CC..THydrogen-bonded Turntrans65.748.4-171.200000111.2A594 L595A594-G598 WeakPolarHBondContact O-CA 3.2Å; A594-G598 PolarHBondContact O-N 3.35Å; L595-G598 PolarHBondContact O-N 3.06Å
599A95.6Very high95.1Very high3 Ų317 Ų173%0.0259%0.094CC..  trans-73.6160.5173.700000111.3A594 L633 L635A594-A599 HydrophobicContact CB-CB 3.76Å; A594-A599 PolarHBondContact O-N 3.3Å; A599-L633 HydrophobicContact CB-CB 4.33Å; A599-L633 HydrophobicContact CB-CD2 3.94Å; A599-L633 HydrophobicContact CB-CG 3.89Å; A599-L635 HydrophobicContact CB-CD1 3.54Å
600D94.4Very high94.7Very high5 Ų520.5 Ų20.53%0.02712%0.115CC..SBendtrans-88.2-38.3-178.9-63.3-62.7000111.5L621 K624 G632 L633 A763 H765D600-L621 HydrophobicContact CB-CD2 3.76Å; D600-L621 HydrophobicContact CB-CG 4.43Å; D600-L621 WeakPolarHBondContact OD2-CD2 3.49Å; D600-K624 IonicContact OD1-NZ 3.89Å; D600-K624 PolarHBondContact OD1-NZ 3.18Å; D600-K624 IonicContact OD2-NZ 3.51Å; D600-K624 PolarHBondContact OD2-NZ 3.12Å; D600-G632 VanDerWaalsContact OD2-CA 3.3Å; D600-G632 WeakPolarHBondContact OD2-CA 2.75Å; D600-L633 WeakPolarHBondContact CB-O 3.31Å; D600-L633 PolarHBondContact N-O 3.37Å; D600-L633 PolarHBondContact OD2-N 2.91Å; D600-A763 WeakPolarHBondContact O-CB 3.39Å; D600-H765 PolarHBondContact O-NE2 2.98Å
601A95Very high94.4Very high5 Ų525.7 Ų25.74%0.04114%0.142CC..EExtended strand (participates in β ladder)trans-143.7156.8176.100000111.1D617 V634 L635A601-D617 HydrophobicContact CB-CB 4.4Å; A601-D617 WeakPolarHBondContact CB-OD2 3.17Å; A601-V634 HydrophobicContact CB-CG1 4.35Å; A601-V634 HydrophobicContact CB-CG2 4.45Å; A601-V634 WeakPolarHBondContact O-CA 3.35Å; A601-L635 PolarHBondContact O-N 3.08Å
602A95.8Very high94.1Very high3 Ų329.4 Ų29.43%0.02516%0.162CC..EExtended strand (participates in β ladder)trans-139.6126171.100000109.8A594 L635 R756 M759A594-A602 HydrophobicContact CB-CB 3.74Å; A602-L635 CarbonylContact C-O 3.59Å; A602-L635 VanDerWaalsContact CA-O 3.27Å; A602-L635 WeakPolarHBondContact CA-O 3.46Å; A602-L635 HydrophobicContact CB-CB 4.3Å; A602-R756 PolarHBondContact O-NH1 3.19Å; A602-R756 PolarHBondContact O-NH2 2.67Å; A602-M759 HydrophobicContact CB-CE 4Å; A602-M759 HydrophobicContact CB-SD 3.61Å
603Y95.7Very high93.8Very high8 Ų831.5 Ų31.53%0.03117%0.173CC..EExtended strand (participates in β ladder)trans-101.1125.2176.4-55-60.3000110.4F609 L614 D617 V634 L635 R636 A637 I649 Y653Y603-F609 HydrophobicContact CD1-CD1 4.13Å; Y603-F609 AromaticContact CD1-CD2 3.96Å; Y603-F609 HydrophobicContact CD1-CD2 3.96Å; Y603-F609 HydrophobicContact CD1-CE1 4.29Å; Y603-F609 HydrophobicContact CD1-CE2 4.11Å; Y603-F609 AromaticContact CD1-CG 3.98Å; Y603-F609 HydrophobicContact CD1-CG 3.98Å; Y603-F609 HydrophobicContact CD1-CZ 4.28Å; Y603-F609 HydrophobicContact CE1-CD2 4.42Å; Y603-F609 HydrophobicContact CG-CE1 4.32Å; Y603-F609 HydrophobicContact CG-CE2 4.31Å; Y603-F609 HydrophobicContact CG-CZ 4.17Å; Y603-L614 HydrophobicContact CD1-CD2 4.32Å; Y603-L614 HydrophobicContact CD2-CD2 4.32Å; Y603-L614 HydrophobicContact CE1-CD2 3.73Å; Y603-L614 HydrophobicContact CE2-CD2 3.67Å; Y603-D617 WeakPolarHBondContact CE1-OD2 3.25Å; Y603-D617 WeakPolarHBondContact OH-CB 3.44Å; Y603-D617 PolarHBondContact OH-OD2 3.13Å; Y603-V634 HydrophobicContact CD2-CG1 3.98Å; Y603-V634 HydrophobicContact CE2-CG1 3.42Å; Y603-V634 VanDerWaalsContact CE2-CG1 3.42Å; Y603-L635 PolarHBondContact N-O 3.49Å; Y603-R636 WeakPolarHBondContact O-CA 3.22Å; Y603-A637 PolarHBondContact O-N 3.21Å; Y603-I649 HydrophobicContact CD2-CD1 3.76Å; Y603-I649 HydrophobicContact CE2-CD1 4.14Å; Y603-Y653 PolarHBondContact OH-OH 3.09Å
604I95Very high93.5Very high1 Ų131.5 Ų31.51%0.00517%0.173CC..  trans-134.5162.8-176.865.8171.6000110.2A590 E606 E607 L640 W752 L753A590-I604 HydrophobicContact CB-CG2 3.83Å; I604-E606 WeakPolarHBondContact CB-OE2 3.26Å; I604-E606 HydrophobicContact CD1-CB 4.15Å; I604-E607 HydrophobicContact CD1-CB 4.26Å; I604-E607 HydrophobicContact CG1-CB 3.92Å; I604-L640 WeakPolarHBondContact O-CD2 3.2Å; I604-W752 HydrophobicContact CD1-CH2 4.18Å; I604-W752 HydrophobicContact CD1-CZ3 3.84Å; I604-L753 HydrophobicContact CD1-CD2 3.78Å
605F94.2Very high93.3Very high61 Ų6138 Ų3827%0.26820%0.197SC..SBendtrans-74.3-36.5-177.1172-103.1000111.3Y585 E607 L640 H744 L746Y585-F605 HydrophobicContact CD1-CB 4.32Å; Y585-F605 HydrophobicContact CD1-CD1 4.16Å; Y585-F605 AromaticContact CD1-CD2 3.55Å; Y585-F605 HydrophobicContact CD1-CD2 3.55Å; Y585-F605 HydrophobicContact CD1-CE1 4.36Å; Y585-F605 AromaticContact CD1-CE2 3.78Å; Y585-F605 HydrophobicContact CD1-CE2 3.78Å; Y585-F605 AromaticContact CD1-CG 3.75Å; Y585-F605 HydrophobicContact CD1-CG 3.75Å; Y585-F605 HydrophobicContact CD1-CZ 4.19Å; Y585-F605 HydrophobicContact CE1-CD2 4.13Å; Y585-F605 HydrophobicContact CE1-CE2 4.09Å; Y585-F605 HydrophobicContact CG-CD1 4.47Å; Y585-F605 HydrophobicContact CG-CG 4.41Å; Y585-F605 WeakPolarHBondContact O-CB 3.41Å; F605-E607 PolarHBondContact O-N 3.29Å; F605-L640 HydrophobicContact CB-CD2 4.45Å; F605-L640 VanDerWaalsContact N-CD2 3.27Å; F605-H744 HydrophobicContact CE1-CB 4.16Å; F605-H744 AromaticContact CE1-CG 3.83Å; F605-H744 HydrophobicContact CZ-CB 4.49Å; F605-H744 AromaticContact CZ-CD2 3.49Å; F605-H744 VanDerWaalsContact CZ-CD2 3.49Å; F605-H744 WeakPolarHBondContact CZ-CD2 3.49Å; F605-H744 AromaticContact CZ-CE1 3.85Å; F605-H744 AromaticContact CZ-CG 3.72Å; F605-H744 AromaticContact CZ-ND1 3.93Å; F605-H744 AromaticContact CZ-NE2 3.61Å; F605-L746 HydrophobicContact CD1-CD1 3.81Å; F605-L746 HydrophobicContact CE1-CD1 3.98Å
606E92.9Very high93Very high49 Ų4943.1 Ų43.123%0.22922%0.221CC..SBendtrans-68.6-19.9-176.3-57.691.4151.300113.4C586 G587 I604 P608 W752 L753C586-E606 VanDerWaalsContact CA-OE1 3.31Å; C586-E606 WeakPolarHBondContact CA-OE1 3.47Å; G587-E606 WeakPolarHBondContact CA-OE2 3.45Å; G587-E606 VanDerWaalsContact N-CD 3.34Å; G587-E606 PolarHBondContact N-OE1 2.93Å; G587-E606 PolarHBondContact N-OE2 3.12Å; G587-E606 VanDerWaalsContact N-OE2 3.11Å; I604-E606 WeakPolarHBondContact CB-OE2 3.26Å; I604-E606 HydrophobicContact CD1-CB 4.15Å; E606-P608 WeakPolarHBondContact O-CD 3.46Å; E606-W752 HydrophobicContact CG-CH2 4.34Å; E606-W752 VanDerWaalsContact OE1-CH2 3.26Å; E606-W752 WeakPolarHBondContact OE1-CH2 3.29Å; E606-W752 WeakPolarHBondContact OE1-CZ2 3.33Å; E606-L753 HydrophobicContact CB-CD1 4.31Å; E606-L753 HydrophobicContact CB-CD2 3.87Å; E606-L753 HydrophobicContact CG-CD2 4.49Å
607E91.1Very high92.9Very high66 Ų6643.3 Ų43.331%0.30822%0.222SC..SBendtrans-116.394173.5-170.5177.912700109.4I604 F605 F609 R756 R760I604-E607 HydrophobicContact CD1-CB 4.26Å; I604-E607 HydrophobicContact CG1-CB 3.92Å; F605-E607 PolarHBondContact O-N 3.29Å; E607-F609 PolarHBondContact O-N 2.84Å; E607-R756 IonicContact OE1-CZ 3.38Å; E607-R756 IonicContact OE1-NH2 2.97Å; E607-R756 PolarHBondContact OE1-NH2 3.16Å; E607-R756 IonicContact OE2-CZ 3.89Å; E607-R756 IonicContact OE2-NE 2.68Å; E607-R756 PolarHBondContact OE2-NE 3.41Å; E607-R756 IonicContact OE2-NH2 3.22Å; E607-R756 PolarHBondContact OE2-NH2 3.25Å; E607-R760 IonicContact OE1-NH1 3Å
608P86.5Confident92.8Very high117 Ų11743.5 Ų43.576%0.7622%0.223SC*.  trans-57135.3177.2-23.833.2000111.1E606E606-P608 WeakPolarHBondContact O-CD 3.46Å
609F89.9Confident92.7Very high18 Ų1847 Ų478%0.07924%0.242CC..  trans-133.8158.7179.166.4-83.5000110.3Y603 E607 D613 L614 L640 I644Y603-F609 HydrophobicContact CD1-CD1 4.13Å; Y603-F609 AromaticContact CD1-CD2 3.96Å; Y603-F609 HydrophobicContact CD1-CD2 3.96Å; Y603-F609 HydrophobicContact CD1-CE1 4.29Å; Y603-F609 HydrophobicContact CD1-CE2 4.11Å; Y603-F609 AromaticContact CD1-CG 3.98Å; Y603-F609 HydrophobicContact CD1-CG 3.98Å; Y603-F609 HydrophobicContact CD1-CZ 4.28Å; Y603-F609 HydrophobicContact CE1-CD2 4.42Å; Y603-F609 HydrophobicContact CG-CE1 4.32Å; Y603-F609 HydrophobicContact CG-CE2 4.31Å; Y603-F609 HydrophobicContact CG-CZ 4.17Å; E607-F609 PolarHBondContact O-N 2.84Å; F609-D613 HydrophobicContact CB-CB 4.13Å; F609-L614 HydrophobicContact CD2-CD2 4.21Å; F609-L614 HydrophobicContact CD2-CG 4.15Å; F609-L614 HydrophobicContact CE2-CD1 4.25Å; F609-L614 HydrophobicContact CE2-CD2 4.05Å; F609-L614 HydrophobicContact CE2-CG 4.21Å; F609-L640 HydrophobicContact CE1-CD1 4.07Å; F609-L640 HydrophobicContact CE1-CD2 4.34Å; F609-L640 HydrophobicContact CZ-CD1 4.04Å; F609-I644 HydrophobicContact CE2-CD1 3.75Å; F609-I644 HydrophobicContact CE2-CG2 4.12Å; F609-I644 HydrophobicContact CZ-CD1 4.22Å; F609-I644 HydrophobicContact CZ-CG2 4.22Å
610T89.9Confident92.6Very high73 Ų7348.4 Ų48.445%0.44825%0.248SC..  trans-120178-175.570.10000110.9D612 D613 L614T610-D612 PolarHBondContact O-N 3.16Å; T610-D612 PolarHBondContact OG1-N 2.89Å; T610-D613 WeakPolarHBondContact CA-OD2 3.49Å; T610-D613 WeakPolarHBondContact CB-OD2 3.37Å; T610-D613 PolarHBondContact N-OD2 3.03Å; T610-D613 PolarHBondContact O-N 3.28Å; T610-D613 PolarHBondContact OG1-OD2 3.49Å; T610-L614 PolarHBondContact O-N 2.89Å
611I89.9Confident92.5Very high109 Ų10948.2 Ų48.256%0.55925%0.247SC*.Hα-helixtrans-64.1-29.7172.6-66.6172.3000111.1L614 R615I611-L614 PolarHBondContact O-N 2.98Å; I611-R615 WeakPolarHBondContact O-CB 3.46Å; I611-R615 PolarHBondContact O-N 2.86Å
612D91.3Very high92.3Very high80 Ų8050.8 Ų50.843%0.42826%0.256SS..Hα-helixtrans-66-40.3177.6-71.2-48.9000111T610 R615 E616T610-D612 PolarHBondContact O-N 3.16Å; T610-D612 PolarHBondContact OG1-N 2.89Å; D612-R615 WeakPolarHBondContact O-CB 3.41Å; D612-R615 PolarHBondContact O-N 3.02Å; D612-R615 IonicContact OD1-CZ 2.57Å; D612-R615 IonicContact OD1-NH1 3.66Å; D612-R615 PolarHBondContact OD1-NH1 3.4Å; D612-R615 IonicContact OD1-NH2 2.78Å; D612-R615 PolarHBondContact OD1-NH2 2.93Å; D612-E616 WeakPolarHBondContact O-CG 3.48Å; D612-E616 PolarHBondContact O-N 2.77Å
613D91.6Very high92.1Very high48 Ų4853.8 Ų53.826%0.25728%0.28SS..Hα-helixtrans-62.7-45175.2-57-74.3000111.6F609 T610 R615 E616 D617F609-D613 HydrophobicContact CB-CB 4.13Å; T610-D613 WeakPolarHBondContact CA-OD2 3.49Å; T610-D613 WeakPolarHBondContact CB-OD2 3.37Å; T610-D613 PolarHBondContact N-OD2 3.03Å; T610-D613 PolarHBondContact O-N 3.28Å; T610-D613 PolarHBondContact OG1-OD2 3.49Å; D613-R615 VanDerWaalsContact C-N 3.29Å; D613-R615 PolarHBondContact O-N 2.82Å; D613-E616 PolarHBondContact O-N 2.68Å; D613-D617 PolarHBondContact O-N 2.89Å
614L92.5Very high91.8Very high0 Ų055.2 Ų55.20%029%0.287CS..Hα-helixtrans-59.4-41.9174.4-66.3174.1000111.3Y603 F609 T610 I611 D617 V618 I644 F648 L652 Y653Y603-L614 HydrophobicContact CD1-CD2 4.32Å; Y603-L614 HydrophobicContact CD2-CD2 4.32Å; Y603-L614 HydrophobicContact CE1-CD2 3.73Å; Y603-L614 HydrophobicContact CE2-CD2 3.67Å; F609-L614 HydrophobicContact CD2-CD2 4.21Å; F609-L614 HydrophobicContact CD2-CG 4.15Å; F609-L614 HydrophobicContact CE2-CD1 4.25Å; F609-L614 HydrophobicContact CE2-CD2 4.05Å; F609-L614 HydrophobicContact CE2-CG 4.21Å; T610-L614 PolarHBondContact O-N 2.89Å; I611-L614 PolarHBondContact O-N 2.98Å; L614-D617 PolarHBondContact O-N 2.86Å; L614-V618 WeakPolarHBondContact O-CG2 3.33Å; L614-V618 PolarHBondContact O-N 2.94Å; L614-I644 HydrophobicContact CD1-CD1 4.46Å; L614-I644 HydrophobicContact CD1-CG2 4.45Å; L614-F648 HydrophobicContact CD1-CE1 4.18Å; L614-L652 HydrophobicContact CB-CD2 3.87Å; L614-L652 HydrophobicContact CD1-CD2 3.92Å; L614-L652 HydrophobicContact CG-CD2 4.48Å; L614-Y653 HydrophobicContact CD2-CE1 4.35Å; L614-Y653 PolarHBondContact O-OH 2.96Å
615R91.5Very high91.6Very high136 Ų13655.1 Ų55.151%0.51329%0.286SS..Hα-helixtrans-63.6-44.4177.5-174.8-17567.9-139.6-10.1111I611 D612 D613 D617 V618 V619I611-R615 WeakPolarHBondContact O-CB 3.46Å; I611-R615 PolarHBondContact O-N 2.86Å; D612-R615 WeakPolarHBondContact O-CB 3.41Å; D612-R615 PolarHBondContact O-N 3.02Å; D612-R615 IonicContact OD1-CZ 2.57Å; D612-R615 IonicContact OD1-NH1 3.66Å; D612-R615 PolarHBondContact OD1-NH1 3.4Å; D612-R615 IonicContact OD1-NH2 2.78Å; D612-R615 PolarHBondContact OD1-NH2 2.93Å; D613-R615 VanDerWaalsContact C-N 3.29Å; D613-R615 PolarHBondContact O-N 2.82Å; R615-D617 VanDerWaalsContact C-N 3.34Å; R615-D617 PolarHBondContact O-N 2.8Å; R615-V618 PolarHBondContact O-N 3.46Å; R615-V619 WeakPolarHBondContact O-CG2 3.43Å; R615-V619 PolarHBondContact O-N 3.17Å
616E92.8Very high91.2Very high111 Ų11157.1 Ų57.152%0.51930%0.3SS..Hα-helixtrans-60.2-43.9177.1-75.3-176.3-174.600111.8D612 D613 V618 V619 H620D612-E616 WeakPolarHBondContact O-CG 3.48Å; D612-E616 PolarHBondContact O-N 2.77Å; D613-E616 PolarHBondContact O-N 2.68Å; E616-V618 PolarHBondContact O-N 3.2Å; E616-V619 PolarHBondContact O-N 3.11Å; E616-H620 WeakPolarHBondContact O-CB 3.32Å; E616-H620 PolarHBondContact O-N 2.81Å
617D94.4Very high90.7Very high4 Ų459 Ų592%0.02131%0.311CS..Hα-helixtrans-65.7-37177.6-70.3-22.1000112A601 Y603 D613 L614 R615 H620 L621 Y653 R760 H765A601-D617 HydrophobicContact CB-CB 4.4Å; A601-D617 WeakPolarHBondContact CB-OD2 3.17Å; Y603-D617 WeakPolarHBondContact CE1-OD2 3.25Å; Y603-D617 WeakPolarHBondContact OH-CB 3.44Å; Y603-D617 PolarHBondContact OH-OD2 3.13Å; D613-D617 PolarHBondContact O-N 2.89Å; L614-D617 PolarHBondContact O-N 2.86Å; R615-D617 VanDerWaalsContact C-N 3.34Å; R615-D617 PolarHBondContact O-N 2.8Å; D617-H620 PolarHBondContact O-N 3.27Å; D617-L621 WeakPolarHBondContact O-CB 3.49Å; D617-L621 WeakPolarHBondContact O-CG 3.35Å; D617-L621 PolarHBondContact O-N 3.49Å; D617-Y653 WeakPolarHBondContact CB-OH 3.4Å; D617-R760 IonicContact OD1-NH2 2.86Å; D617-R760 PolarHBondContact OD1-NH2 2.83Å; D617-H765 IonicContact OD1-CE1 3.7Å; D617-H765 PolarHBondContact OD1-CE1 3.44Å; D617-H765 IonicContact OD1-ND1 2.77Å; D617-H765 IonicContact OD1-NE2 3.32Å
618V94Very high90.2Very high4 Ų461.8 Ų61.82%0.02433%0.328CS..Hα-helixtrans-64-46.5171.91720000111.3L614 R615 E616 H620 L621 R622 Y653 E656 F661L614-V618 WeakPolarHBondContact O-CG2 3.33Å; L614-V618 PolarHBondContact O-N 2.94Å; R615-V618 PolarHBondContact O-N 3.46Å; E616-V618 PolarHBondContact O-N 3.2Å; V618-H620 VanDerWaalsContact C-N 3.29Å; V618-H620 PolarHBondContact O-N 3.4Å; V618-L621 PolarHBondContact O-N 3.22Å; V618-R622 HydrophobicContact CG1-CG 4.31Å; V618-R622 VanDerWaalsContact O-CG 3.31Å; V618-R622 WeakPolarHBondContact O-CG 3.45Å; V618-R622 PolarHBondContact O-N 2.73Å; V618-Y653 HydrophobicContact CG2-CD1 3.58Å; V618-Y653 HydrophobicContact CG2-CD2 3.74Å; V618-Y653 HydrophobicContact CG2-CE1 3.46Å; V618-Y653 VanDerWaalsContact CG2-CE1 3.46Å; V618-Y653 HydrophobicContact CG2-CE2 3.65Å; V618-Y653 HydrophobicContact CG2-CG 3.71Å; V618-Y653 VanDerWaalsContact CG2-CZ 3.48Å; V618-E656 HydrophobicContact CG1-CB 3.72Å; V618-F661 HydrophobicContact CG1-CZ 4.25Å
619V92.9Very high89.9Confident85 Ų8557.2 Ų57.252%0.51530%0.298SS..Hα-helixtrans-60.4-42.9178.1170.10000110.5R615 E616 R622 A623R615-V619 WeakPolarHBondContact O-CG2 3.43Å; R615-V619 PolarHBondContact O-N 3.17Å; E616-V619 PolarHBondContact O-N 3.11Å; V619-R622 PolarHBondContact O-N 3.34Å; V619-A623 PolarHBondContact O-N 3.39Å
620H92.6Very high89.6Confident33 Ų3359.3 Ų59.315%0.15331%0.308CS..Hα-helixtrans-57.7-49.9174.3176.586.5000111.8E616 D617 V618 R622 A623 K624 A763 H765E616-H620 WeakPolarHBondContact O-CB 3.32Å; E616-H620 PolarHBondContact O-N 2.81Å; D617-H620 PolarHBondContact O-N 3.27Å; V618-H620 VanDerWaalsContact C-N 3.29Å; V618-H620 PolarHBondContact O-N 3.4Å; H620-R622 VanDerWaalsContact C-N 3.35Å; H620-R622 PolarHBondContact O-N 3.26Å; H620-A623 PolarHBondContact O-N 2.98Å; H620-K624 WeakPolarHBondContact O-CB 3.27Å; H620-K624 PolarHBondContact O-N 3.18Å; H620-A763 PolarHBondContact CE1-O 3.16Å; H620-A763 PolarHBondContact NE2-O 3.16Å; H620-H765 AromaticContact CD2-CE1 3.79Å; H620-H765 AromaticContact CD2-NE2 3.4Å; H620-H765 PolarHBondContact CD2-NE2 3.17Å; H620-H765 AromaticContact CE1-NE2 3.94Å; H620-H765 AromaticContact CG-CE1 3.49Å; H620-H765 VanDerWaalsContact CG-CE1 3.49Å; H620-H765 AromaticContact CG-NE2 3.57Å; H620-H765 AromaticContact ND1-CE1 3.88Å; H620-H765 AromaticContact ND1-NE2 3.91Å; H620-H765 AromaticContact NE2-NE2 3.73Å
621L92.8Very high89.6Confident1 Ų156.8 Ų56.81%0.00529%0.29CS..Hα-helixtrans-63.2-38.5178.6-79.4169.3000112.8V576 D600 D617 V618 K624 I625 V634 Y653 F661V576-L621 HydrophobicContact CG1-CD1 4.08Å; V576-L621 HydrophobicContact CG2-CD1 4.29Å; D600-L621 HydrophobicContact CB-CD2 3.76Å; D600-L621 HydrophobicContact CB-CG 4.43Å; D600-L621 WeakPolarHBondContact OD2-CD2 3.49Å; D617-L621 WeakPolarHBondContact O-CB 3.49Å; D617-L621 WeakPolarHBondContact O-CG 3.35Å; D617-L621 PolarHBondContact O-N 3.49Å; V618-L621 PolarHBondContact O-N 3.22Å; L621-K624 HydrophobicContact CD2-CD 4.47Å; L621-K624 PolarHBondContact O-N 3.14Å; L621-I625 WeakPolarHBondContact O-CB 3.45Å; L621-I625 VanDerWaalsContact O-CG1 3.31Å; L621-I625 WeakPolarHBondContact O-CG1 3.47Å; L621-I625 PolarHBondContact O-N 3.4Å; L621-V634 HydrophobicContact CD1-CG2 3.96Å; L621-Y653 HydrophobicContact CD1-CD2 3.99Å; L621-Y653 HydrophobicContact CD1-CE2 3.55Å; L621-F661 HydrophobicContact CB-CE1 4.02Å; L621-F661 HydrophobicContact CB-CZ 4.41Å
622R92.3Very high89.8Confident60 Ų6051.8 Ų51.823%0.22627%0.265CS..Hα-helixtrans-59-51.1174.2-73.7173.863.7163.15.5110.6V618 V619 H620 K624 I625 D626 E656 Q658 I660 F661V618-R622 HydrophobicContact CG1-CG 4.31Å; V618-R622 VanDerWaalsContact O-CG 3.31Å; V618-R622 WeakPolarHBondContact O-CG 3.45Å; V618-R622 PolarHBondContact O-N 2.73Å; V619-R622 PolarHBondContact O-N 3.34Å; H620-R622 VanDerWaalsContact C-N 3.35Å; H620-R622 PolarHBondContact O-N 3.26Å; R622-K624 VanDerWaalsContact C-N 3.33Å; R622-K624 PolarHBondContact O-N 3.29Å; R622-I625 PolarHBondContact O-N 3.37Å; R622-D626 WeakPolarHBondContact O-CB 3.24Å; R622-D626 PolarHBondContact O-N 3.07Å; R622-E656 WeakPolarHBondContact CD-O 2.95Å; R622-E656 PolarHBondContact NH1-O 3.04Å; R622-Q658 VanDerWaalsContact CZ-OE1 3.25Å; R622-I660 HydrophobicContact CB-CD1 4.08Å; R622-I660 HydrophobicContact CG-CD1 4.14Å; R622-F661 HydrophobicContact CG-CD1 4.3Å; R622-F661 HydrophobicContact CG-CE1 3.67Å
623A90.1Very high90Very high65 Ų6548 Ų4854%0.53725%0.245SC..Hα-helixtrans-60.4-43.6178.900000111.8V619 H620 D627V619-A623 PolarHBondContact O-N 3.39Å; H620-A623 PolarHBondContact O-N 2.98Å; A623-D627 WeakPolarHBondContact O-CB 3.44Å; A623-D627 PolarHBondContact O-N 2.87Å
624K90.4Very high90.2Very high38 Ų3845.7 Ų45.717%0.16523%0.232CC..Hα-helixtrans-62.2-44.4177.6176.8-173.6165.4-169.30112.9D600 H620 L621 R622 V629 R631D600-K624 IonicContact OD1-NZ 3.89Å; D600-K624 PolarHBondContact OD1-NZ 3.18Å; D600-K624 IonicContact OD2-NZ 3.51Å; D600-K624 PolarHBondContact OD2-NZ 3.12Å; H620-K624 WeakPolarHBondContact O-CB 3.27Å; H620-K624 PolarHBondContact O-N 3.18Å; L621-K624 HydrophobicContact CD2-CD 4.47Å; L621-K624 PolarHBondContact O-N 3.14Å; R622-K624 VanDerWaalsContact C-N 3.33Å; R622-K624 PolarHBondContact O-N 3.29Å; K624-V629 HydrophobicContact CG-CB 3.94Å; K624-V629 HydrophobicContact CG-CG1 4.4Å; K624-V629 PolarHBondContact O-N 3.5Å; K624-R631 VanDerWaalsContact CE-O 3.28Å; K624-R631 WeakPolarHBondContact CE-O 2.9Å; K624-R631 PolarHBondContact NZ-O 2.88Å; K624-R631 VanDerWaalsContact NZ-O 3.09Å
625I89.6Confident90.4Very high0 Ų045.7 Ų45.70%023%0.232CC..Hα-helixtrans-77.1-29.6-177.2-69.5173.5000112R574 V576 L621 R622 D627 V629 K630 I660 F661R574-I625 HydrophobicContact CB-CG2 4.07Å; R574-I625 HydrophobicContact CG-CG2 3.84Å; V576-I625 HydrophobicContact CG2-CD1 3.62Å; L621-I625 WeakPolarHBondContact O-CB 3.45Å; L621-I625 VanDerWaalsContact O-CG1 3.31Å; L621-I625 WeakPolarHBondContact O-CG1 3.47Å; L621-I625 PolarHBondContact O-N 3.4Å; R622-I625 PolarHBondContact O-N 3.37Å; I625-D627 VanDerWaalsContact C-N 3.33Å; I625-V629 WeakPolarHBondContact CA-O 3.22Å; I625-K630 WeakPolarHBondContact O-CD 3.23Å; I625-K630 WeakPolarHBondContact O-CE 3.42Å; I625-K630 PolarHBondContact O-NZ 3.36Å; I625-I660 HydrophobicContact CB-CG2 4.36Å; I625-I660 HydrophobicContact CG2-CG2 4.07Å; I625-F661 HydrophobicContact CD1-CB 3.71Å; I625-F661 HydrophobicContact CD1-CD1 3.68Å; I625-F661 HydrophobicContact CD1-CE1 4.47Å; I625-F661 HydrophobicContact CD1-CG 3.86Å; I625-F661 HydrophobicContact CG2-CB 4.28Å
626D86.6Confident90.5Very high102 Ų10239.7 Ų39.755%0.54521%0.209SC..Hα-helixtrans-69.4-35.4174.7-159.142.7000111.5R622 K630 I660R622-D626 WeakPolarHBondContact O-CB 3.24Å; R622-D626 PolarHBondContact O-N 3.07Å; D626-K630 PolarHBondContact O-NZ 3.35Å; D626-I660 HydrophobicContact CB-CG2 4.44Å
627D83.2Confident90.6Very high89 Ų8934.4 Ų34.448%0.47619%0.185SC..THydrogen-bonded Turntrans-73.5-151.5170.3-169.115.4000112.3A623 I625 V629 K630A623-D627 WeakPolarHBondContact O-CB 3.44Å; A623-D627 PolarHBondContact O-N 2.87Å; I625-D627 VanDerWaalsContact C-N 3.33Å; D627-V629 PolarHBondContact O-N 3.29Å; D627-K630 VanDerWaalsContact O-CE 3.27Å; D627-K630 WeakPolarHBondContact O-CE 3.19Å; D627-K630 PolarHBondContact O-NZ 3.38Å
628N78.8Confident90.4Very high124 Ų12436.1 Ų36.166%0.66319%0.194SC*.THydrogen-bonded Turntrans-76.3-16-170.5-71.9-40.7000115.5A73A73-N628 HydrophobicContact CB-CB 4.39Å
629V80.9Confident90Very high22 Ų2239.7 Ų39.713%0.13321%0.211CC..  trans-102.391.6-172.6-171.60000111.7K624 I625 D627 R631K624-V629 HydrophobicContact CG-CB 3.94Å; K624-V629 HydrophobicContact CG-CG1 4.4Å; K624-V629 PolarHBondContact O-N 3.5Å; I625-V629 WeakPolarHBondContact CA-O 3.22Å; D627-V629 PolarHBondContact O-N 3.29Å; V629-R631 HydrophobicContact CG1-CG 4.36Å; V629-R631 PolarHBondContact O-N 3.47Å
630K83.9Confident89.3Confident62 Ų6236.1 Ų36.127%0.2719%0.19SC..  trans-77.829.1-172.8-53.6-52.3-169-168.80116.1K573 R574 I625 D626 D627K573-K630 HydrophobicContact CB-CB 4.31Å; R574-K630 WeakPolarHBondContact CA-O 3.41Å; R574-K630 HydrophobicContact CG-CD 4.39Å; R574-K630 PolarHBondContact N-O 3.05Å; I625-K630 WeakPolarHBondContact O-CD 3.23Å; I625-K630 WeakPolarHBondContact O-CE 3.42Å; I625-K630 PolarHBondContact O-NZ 3.36Å; D626-K630 PolarHBondContact O-NZ 3.35Å; D627-K630 VanDerWaalsContact O-CE 3.27Å; D627-K630 WeakPolarHBondContact O-CE 3.19Å; D627-K630 PolarHBondContact O-NZ 3.38Å
631R90.5Very high88.4Confident20 Ų2038 Ų388%0.07520%0.2CC..EExtended strand (participates in β ladder)trans-144.5147.6176.867.3172.7-179.188.1-3112.2A569 L570 R575 K624 V629A569-R631 HydrophobicContact CB-CB 3.96Å; L570-R631 HydrophobicContact CD2-CG 4.43Å; R575-R631 WeakPolarHBondContact O-CA 3.3Å; K624-R631 VanDerWaalsContact CE-O 3.28Å; K624-R631 WeakPolarHBondContact CE-O 2.9Å; K624-R631 PolarHBondContact NZ-O 2.88Å; K624-R631 VanDerWaalsContact NZ-O 3.09Å; V629-R631 HydrophobicContact CG1-CG 4.36Å; V629-R631 PolarHBondContact O-N 3.47Å
632G92.9Very high87.6Confident3 Ų344.6 Ų44.63%0.03124%0.235CC..EExtended strand (participates in β ladder)trans-125.5150.1168.800000112.3R575 V576 F577 D600R575-G632 PolarHBondContact O-N 3.03Å; V576-G632 WeakPolarHBondContact CA-O 3.26Å; F577-G632 PolarHBondContact N-O 3.48Å; F577-G632 VanDerWaalsContact N-O 3.12Å; D600-G632 VanDerWaalsContact OD2-CA 3.3Å; D600-G632 WeakPolarHBondContact OD2-CA 2.75Å
633L95.4Very high87.1Confident1 Ų147 Ų471%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-139.5127.1175.5176.165.4000109.3L562 K566 F577 V579 A599 D600 L635L562-L633 HydrophobicContact CB-CD2 4.39Å; L562-L633 HydrophobicContact CD1-CD2 4.27Å; L562-L633 HydrophobicContact CD2-CD1 3.92Å; L562-L633 HydrophobicContact CD2-CD2 4.08Å; L562-L633 HydrophobicContact CG-CD2 4.47Å; K566-L633 HydrophobicContact CD-CD2 4.25Å; K566-L633 HydrophobicContact CG-CD2 4.29Å; F577-L633 HydrophobicContact CB-CD1 4.21Å; V579-L633 HydrophobicContact CG2-CD1 3.76Å; A599-L633 HydrophobicContact CB-CB 4.33Å; A599-L633 HydrophobicContact CB-CD2 3.94Å; A599-L633 HydrophobicContact CB-CG 3.89Å; D600-L633 WeakPolarHBondContact CB-O 3.31Å; D600-L633 PolarHBondContact N-O 3.37Å; D600-L633 PolarHBondContact OD2-N 2.91Å; L633-L635 HydrophobicContact CD1-CD1 4.22Å; L633-L635 HydrophobicContact CD2-CD1 4.13Å; L633-L635 HydrophobicContact CG-CD1 3.91Å
634V96.3Very high86.8Confident0 Ų044.6 Ų44.60%024%0.235CC..EExtended strand (participates in β ladder)trans-127.1130.3-179.8175.80000107.7V576 F577 V578 V579 A601 Y603 L621 Y653V576-V634 HydrophobicContact CG1-CG2 4.24Å; F577-V634 PolarHBondContact O-N 3.28Å; V578-V634 CarbonylContact C-O 3.45Å; V578-V634 WeakPolarHBondContact CA-O 3.43Å; V578-V634 HydrophobicContact CG2-CB 4.37Å; V579-V634 PolarHBondContact N-O 2.93Å; A601-V634 HydrophobicContact CB-CG1 4.35Å; A601-V634 HydrophobicContact CB-CG2 4.45Å; A601-V634 WeakPolarHBondContact O-CA 3.35Å; Y603-V634 HydrophobicContact CD2-CG1 3.98Å; Y603-V634 HydrophobicContact CE2-CG1 3.42Å; Y603-V634 VanDerWaalsContact CE2-CG1 3.42Å; L621-V634 HydrophobicContact CD1-CG2 3.96Å; V634-Y653 HydrophobicContact CG2-CE2 3.95Å
635L96.6Very high86.8Confident0 Ų045.7 Ų45.70%025%0.245CC..EExtended strand (participates in β ladder)trans-105158.3173.6-85.980.9000111.1L562 V579 T581 A590 A594 A599 A601 A602 Y603 L633L562-L635 HydrophobicContact CD1-CD1 4.1Å; L562-L635 HydrophobicContact CD1-CD2 4.17Å; L562-L635 HydrophobicContact CD2-CD1 4.16Å; V579-L635 HydrophobicContact CB-CG 4.42Å; V579-L635 CarbonylContact O-C 3.55Å; V579-L635 WeakPolarHBondContact O-CA 3.46Å; T581-L635 HydrophobicContact CG2-CD2 3.93Å; A590-L635 WeakPolarHBondContact O-CD2 3.31Å; A594-L635 HydrophobicContact CB-CB 4.29Å; A594-L635 HydrophobicContact CB-CD1 4.23Å; A594-L635 HydrophobicContact CB-CD2 4.23Å; A594-L635 HydrophobicContact CB-CG 4.5Å; A599-L635 HydrophobicContact CB-CD1 3.54Å; A601-L635 PolarHBondContact O-N 3.08Å; A602-L635 CarbonylContact C-O 3.59Å; A602-L635 VanDerWaalsContact CA-O 3.27Å; A602-L635 WeakPolarHBondContact CA-O 3.46Å; A602-L635 HydrophobicContact CB-CB 4.3Å; Y603-L635 PolarHBondContact N-O 3.49Å; L633-L635 HydrophobicContact CD1-CD1 4.22Å; L633-L635 HydrophobicContact CD2-CD1 4.13Å; L633-L635 HydrophobicContact CG-CD1 3.91Å
636R94.8Very high86.9Confident9 Ų946 Ų463%0.03425%0.246CC..EExtended strand (participates in β ladder)trans-152.4135.6-178.9148.4174.1179127.912.8109.4V579 E580 T581 Y603 L640 I644 T645 S646V579-R636 PolarHBondContact O-N 2.82Å; E580-R636 WeakPolarHBondContact CA-O 3.48Å; E580-R636 HydrophobicContact CG-CG 4.44Å; E580-R636 IonicContact OE2-NE 2.71Å; T581-R636 PolarHBondContact N-O 3.46Å; T581-R636 PolarHBondContact OG1-O 3.13Å; Y603-R636 WeakPolarHBondContact O-CA 3.22Å; R636-L640 HydrophobicContact CG-CD1 3.82Å; R636-I644 PolarHBondContact NH1-O 2.91Å; R636-I644 PolarHBondContact NH2-O 3.06Å; R636-T645 PolarHBondContact NH1-O 3.25Å; R636-S646 WeakPolarHBondContact CD-OG 3.48Å; R636-S646 VanDerWaalsContact CZ-N 3.25Å; R636-S646 PolarHBondContact NE-OG 3.33Å
637A94.6Very high87.1Confident0 Ų045.3 Ų45.30%024%0.24CC..EExtended strand (participates in β ladder)trans-71.2151.4165.300000111.4A590 Y603 L640A590-A637 HydrophobicContact CB-CB 4.27Å; Y603-A637 PolarHBondContact O-N 3.21Å; A637-L640 HydrophobicContact CB-CD2 4.07Å; A637-L640 HydrophobicContact CB-CG 4.47Å
638D89.7Confident87.6Confident41 Ų4144.5 Ų44.522%0.21923%0.233CC..SBendtrans-63.1-45.4-178.854.8-5000112.1E580 T581 G584E580-D638 HydrophobicContact CG-CB 4.32Å; T581-D638 PolarHBondContact O-N 3.25Å; G584-D638 VanDerWaalsContact CA-OD1 3.22Å; G584-D638 WeakPolarHBondContact CA-OD1 3.49Å; G584-D638 PolarHBondContact N-OD1 2.91Å; G584-D638 PolarHBondContact N-OD2 2.91Å
639M85Confident88.3Confident78 Ų7838.6 Ų38.638%0.38420%0.201SC..SBendtrans-105.5113.2179.8-52-70.4-99.600111.3G584 Y585G584-M639 WeakPolarHBondContact O-CB 3.5Å; Y585-M639 HydrophobicContact CD1-CB 3.78Å; Y585-M639 HydrophobicContact CD2-CB 4.38Å; Y585-M639 HydrophobicContact CE1-CB 3.82Å; Y585-M639 HydrophobicContact CE2-CB 4.41Å; Y585-M639 HydrophobicContact CE2-CE 4.39Å; Y585-M639 HydrophobicContact CG-CB 4.08Å
640L77.7Confident89Confident11 Ų1139 Ų396%0.05820%0.201CC..SBendtrans-131.6-91.1-178.3-66.6175.2000110.6I604 F605 F609 R636 A637I604-L640 WeakPolarHBondContact O-CD2 3.2Å; F605-L640 HydrophobicContact CB-CD2 4.45Å; F605-L640 VanDerWaalsContact N-CD2 3.27Å; F609-L640 HydrophobicContact CE1-CD1 4.07Å; F609-L640 HydrophobicContact CE1-CD2 4.34Å; F609-L640 HydrophobicContact CZ-CD1 4.04Å; R636-L640 HydrophobicContact CG-CD1 3.82Å; A637-L640 HydrophobicContact CB-CD2 4.07Å; A637-L640 HydrophobicContact CB-CG 4.47Å
641I75.3Confident89.5Confident72 Ų7241.4 Ų41.437%0.36921%0.214SC..BIsolated β-bridgetrans-127.3125.2174.3-57174000104.6T643 I644I641-T643 WeakPolarHBondContact CG2-OG1 3.16Å; I641-T643 PolarHBondContact O-N 3.32Å; I641-I644 HydrophobicContact CD1-CD1 4.22Å; I641-I644 PolarHBondContact O-N 3.4Å; I641-I644 VanDerWaalsContact O-O 3.13Å
642N75Confident89.7Confident139 Ų13942.4 Ų42.474%0.74322%0.22SC*.THydrogen-bonded Turntrans-55.2-24.8-172.3-69.1-18.6000114.2
643T81.1Confident89.8Confident110 Ų11042.2 Ų42.268%0.67522%0.218SC*.THydrogen-bonded Turntrans-86.3-28.5-178.2530000113.9I641 T645I641-T643 WeakPolarHBondContact CG2-OG1 3.16Å; I641-T643 PolarHBondContact O-N 3.32Å; T643-T645 PolarHBondContact O-N 2.96Å
644I85.2Confident89.7Confident16 Ų1644.2 Ų44.28%0.08224%0.235CC..BIsolated β-bridgetrans-94.1100.3178.2-57.3-177000105.5F609 L614 R636 I641 F648 I649F609-I644 HydrophobicContact CE2-CD1 3.75Å; F609-I644 HydrophobicContact CE2-CG2 4.12Å; F609-I644 HydrophobicContact CZ-CD1 4.22Å; F609-I644 HydrophobicContact CZ-CG2 4.22Å; L614-I644 HydrophobicContact CD1-CD1 4.46Å; L614-I644 HydrophobicContact CD1-CG2 4.45Å; R636-I644 PolarHBondContact NH1-O 2.91Å; R636-I644 PolarHBondContact NH2-O 3.06Å; I641-I644 HydrophobicContact CD1-CD1 4.22Å; I641-I644 PolarHBondContact O-N 3.4Å; I641-I644 VanDerWaalsContact O-O 3.13Å; I644-F648 HydrophobicContact CB-CD1 4.45Å; I644-F648 HydrophobicContact CG2-CD1 3.85Å; I644-F648 HydrophobicContact CG2-CE1 4.35Å; I644-I649 HydrophobicContact CG2-CD1 4.01Å; I644-I649 HydrophobicContact CG2-CG1 3.78Å
645T90.6Very high89.6Confident61 Ų6151 Ų5137%0.37427%0.267SS..  trans-99.1165.4177.864.70000111.8R636 T643 E647 F648 I649R636-T645 PolarHBondContact NH1-O 3.25Å; T643-T645 PolarHBondContact O-N 2.96Å; T645-E647 PolarHBondContact O-N 3.06Å; T645-F648 WeakPolarHBondContact O-CB 3.43Å; T645-F648 PolarHBondContact O-N 2.98Å; T645-F648 VanDerWaalsContact O-N 3.07Å; T645-F648 PolarHBondContact OG1-N 3.5Å; T645-F648 VanDerWaalsContact OG1-N 3.07Å; T645-I649 PolarHBondContact O-N 3.29Å
646S91.1Very high89.4Confident5 Ų554.6 Ų54.64%0.03528%0.283CS..Hα-helixtrans-57.6-35.8173.8-67.30000111.5E580 R636 I649 H650 C665E580-S646 WeakPolarHBondContact OE2-CB 3.38Å; E580-S646 PolarHBondContact OE2-OG 3.22Å; R636-S646 WeakPolarHBondContact CD-OG 3.48Å; R636-S646 VanDerWaalsContact CZ-N 3.25Å; R636-S646 PolarHBondContact NE-OG 3.33Å; S646-I649 PolarHBondContact O-N 3.33Å; S646-H650 VanDerWaalsContact O-CB 3.27Å; S646-H650 WeakPolarHBondContact O-CB 3.29Å; S646-H650 PolarHBondContact O-N 2.91Å; S646-C665 VanDerWaalsContact CB-SG 3.58Å
647E91.3Very high89.1Confident88 Ų8854.2 Ų54.241%0.41128%0.282SS..Hα-helixtrans-66.4-41.1174.2-17355.7-147.600112.1T645 H650 Q651T645-E647 PolarHBondContact O-N 3.06Å; E647-H650 WeakPolarHBondContact O-CB 3.32Å; E647-H650 PolarHBondContact O-N 2.52Å; E647-H650 IonicContact OE1-CE1 3.84Å; E647-H650 IonicContact OE1-ND1 2.61Å; E647-H650 PolarHBondContact OE1-ND1 3.26Å; E647-H650 IonicContact OE2-ND1 2.85Å; E647-Q651 WeakPolarHBondContact O-CB 3.38Å; E647-Q651 VanDerWaalsContact O-CG 3.31Å; E647-Q651 WeakPolarHBondContact O-CG 3.37Å; E647-Q651 PolarHBondContact O-N 2.8Å; E647-Q651 WeakPolarHBondContact OE1-CG 3.3Å; E647-Q651 PolarHBondContact OE1-NE2 3.3Å
648F93.5Very high88.8Confident73 Ų7359.8 Ų59.832%0.3231%0.308SS..Hα-helixtrans-60.4-49174.7174.9-90.4000111.6L614 I644 T645 H650 Q651 L652L614-F648 HydrophobicContact CD1-CE1 4.18Å; I644-F648 HydrophobicContact CB-CD1 4.45Å; I644-F648 HydrophobicContact CG2-CD1 3.85Å; I644-F648 HydrophobicContact CG2-CE1 4.35Å; T645-F648 WeakPolarHBondContact O-CB 3.43Å; T645-F648 PolarHBondContact O-N 2.98Å; T645-F648 VanDerWaalsContact O-N 3.07Å; T645-F648 PolarHBondContact OG1-N 3.5Å; T645-F648 VanDerWaalsContact OG1-N 3.07Å; F648-H650 VanDerWaalsContact C-N 3.31Å; F648-H650 PolarHBondContact O-N 3.11Å; F648-Q651 PolarHBondContact O-N 3.25Å; F648-L652 HydrophobicContact CE1-CD2 4.2Å; F648-L652 WeakPolarHBondContact O-CB 3.38Å; F648-L652 PolarHBondContact O-N 3.31Å
649I93.8Very high88.7Confident0 Ų061.3 Ų61.30%033%0.333CS..Hα-helixtrans-61.6-43.9178.3-61177.8000109.7V578 Y603 I644 T645 S646 Q651 L652 Y653V578-I649 HydrophobicContact CG1-CB 4.41Å; V578-I649 HydrophobicContact CG1-CG2 4.15Å; V578-I649 HydrophobicContact CG2-CG2 3.8Å; Y603-I649 HydrophobicContact CD2-CD1 3.76Å; Y603-I649 HydrophobicContact CE2-CD1 4.14Å; I644-I649 HydrophobicContact CG2-CD1 4.01Å; I644-I649 HydrophobicContact CG2-CG1 3.78Å; T645-I649 PolarHBondContact O-N 3.29Å; S646-I649 PolarHBondContact O-N 3.33Å; I649-Q651 PolarHBondContact O-N 3.02Å; I649-L652 PolarHBondContact O-N 3.12Å; I649-Y653 HydrophobicContact CG2-CD1 3.63Å; I649-Y653 HydrophobicContact CG2-CE1 3.58Å; I649-Y653 HydrophobicContact CG2-CG 4.38Å; I649-Y653 WeakPolarHBondContact O-CB 3.35Å; I649-Y653 WeakPolarHBondContact O-CD1 3.45Å; I649-Y653 PolarHBondContact O-N 3.09Å
650H94.1Very high88.9Confident31 Ų3159 Ų5914%0.14432%0.322CS..Hα-helixtrans-55.8-49.5175.4161.4-118.6000112.5S646 E647 F648 Y653 A654 C663 C665S646-H650 VanDerWaalsContact O-CB 3.27Å; S646-H650 WeakPolarHBondContact O-CB 3.29Å; S646-H650 PolarHBondContact O-N 2.91Å; E647-H650 WeakPolarHBondContact O-CB 3.32Å; E647-H650 PolarHBondContact O-N 2.52Å; E647-H650 IonicContact OE1-CE1 3.84Å; E647-H650 IonicContact OE1-ND1 2.61Å; E647-H650 PolarHBondContact OE1-ND1 3.26Å; E647-H650 IonicContact OE2-ND1 2.85Å; F648-H650 VanDerWaalsContact C-N 3.31Å; F648-H650 PolarHBondContact O-N 3.11Å; H650-Y653 PolarHBondContact O-N 3.38Å; H650-A654 WeakPolarHBondContact O-CB 3.41Å; H650-A654 PolarHBondContact O-N 3.32Å; H650-C663 PolarHBondContact CD2-O 3.5Å; H650-C663 PolarHBondContact NE2-O 3.42Å; H650-C665 HydrophobicContact CB-CB 4.03Å
651Q94.5Very high89.7Confident112 Ų11258.9 Ų58.952%0.52332%0.321SS..Hα-helixtrans-65.3-43.6-180-71.9177.97.200111.8E647 F648 I649 A654 Q655E647-Q651 WeakPolarHBondContact O-CB 3.38Å; E647-Q651 VanDerWaalsContact O-CG 3.31Å; E647-Q651 WeakPolarHBondContact O-CG 3.37Å; E647-Q651 PolarHBondContact O-N 2.8Å; E647-Q651 WeakPolarHBondContact OE1-CG 3.3Å; E647-Q651 PolarHBondContact OE1-NE2 3.3Å; F648-Q651 PolarHBondContact O-N 3.25Å; I649-Q651 PolarHBondContact O-N 3.02Å; Q651-A654 PolarHBondContact O-N 2.75Å; Q651-Q655 WeakPolarHBondContact O-CB 3.47Å; Q651-Q655 PolarHBondContact O-N 3.21Å
652L94.4Very high90.5Very high40 Ų4057.7 Ų57.721%0.20932%0.315CS..Hα-helixtrans-58.1-50.8175.8177.566.1000110.9L614 F648 I649 Q655 E656L614-L652 HydrophobicContact CB-CD2 3.87Å; L614-L652 HydrophobicContact CD1-CD2 3.92Å; L614-L652 HydrophobicContact CG-CD2 4.48Å; F648-L652 HydrophobicContact CE1-CD2 4.2Å; F648-L652 WeakPolarHBondContact O-CB 3.38Å; F648-L652 PolarHBondContact O-N 3.31Å; I649-L652 PolarHBondContact O-N 3.12Å; L652-Q655 PolarHBondContact O-N 2.98Å; L652-E656 HydrophobicContact CD1-CG 3.83Å; L652-E656 WeakPolarHBondContact O-CB 3.26Å; L652-E656 WeakPolarHBondContact O-CG 3.17Å; L652-E656 PolarHBondContact O-N 3.31Å
653Y95.5Very high91.4Very high0 Ų051.1 Ų51.10%028%0.28CS..Hα-helixtrans-68.4-38.1-177.7-82.555.3000111.7V576 Y603 L614 D617 V618 L621 V634 I649 H650 Q655 G657 F661V576-Y653 HydrophobicContact CG1-CD2 4.2Å; Y603-Y653 PolarHBondContact OH-OH 3.09Å; L614-Y653 HydrophobicContact CD2-CE1 4.35Å; L614-Y653 PolarHBondContact O-OH 2.96Å; D617-Y653 WeakPolarHBondContact CB-OH 3.4Å; V618-Y653 HydrophobicContact CG2-CD1 3.58Å; V618-Y653 HydrophobicContact CG2-CD2 3.74Å; V618-Y653 HydrophobicContact CG2-CE1 3.46Å; V618-Y653 VanDerWaalsContact CG2-CE1 3.46Å; V618-Y653 HydrophobicContact CG2-CE2 3.65Å; V618-Y653 HydrophobicContact CG2-CG 3.71Å; V618-Y653 VanDerWaalsContact CG2-CZ 3.48Å; L621-Y653 HydrophobicContact CD1-CD2 3.99Å; L621-Y653 HydrophobicContact CD1-CE2 3.55Å; V634-Y653 HydrophobicContact CG2-CE2 3.95Å; I649-Y653 HydrophobicContact CG2-CD1 3.63Å; I649-Y653 HydrophobicContact CG2-CE1 3.58Å; I649-Y653 HydrophobicContact CG2-CG 4.38Å; I649-Y653 WeakPolarHBondContact O-CB 3.35Å; I649-Y653 WeakPolarHBondContact O-CD1 3.45Å; I649-Y653 PolarHBondContact O-N 3.09Å; H650-Y653 PolarHBondContact O-N 3.38Å; Y653-Q655 VanDerWaalsContact C-N 3.31Å; Y653-Q655 PolarHBondContact O-N 3.5Å; Y653-G657 WeakPolarHBondContact O-CA 2.94Å; Y653-G657 PolarHBondContact O-N 3.27Å; Y653-F661 HydrophobicContact CD2-CZ 4.5Å; Y653-F661 VanDerWaalsContact O-CE2 3.23Å; Y653-F661 WeakPolarHBondContact O-CE2 3.35Å
654A93Very high92.1Very high42 Ų4251.3 Ų51.335%0.34727%0.269SS..Hα-helixtrans-62.3-40.3175.300000111.8H650 Q651 C663H650-A654 WeakPolarHBondContact O-CB 3.41Å; H650-A654 PolarHBondContact O-N 3.32Å; Q651-A654 PolarHBondContact O-N 2.75Å; A654-C663 HydrophobicContact CB-CB 3.96Å
655Q94Very high92.5Very high143 Ų14352.5 Ų52.567%0.66828%0.278SS*.Hα-helixtrans-74.4-52.2179.5-174.665.612.600111.7Q651 L652 Y653 G657 Q658Q651-Q655 WeakPolarHBondContact O-CB 3.47Å; Q651-Q655 PolarHBondContact O-N 3.21Å; L652-Q655 PolarHBondContact O-N 2.98Å; Y653-Q655 VanDerWaalsContact C-N 3.31Å; Y653-Q655 PolarHBondContact O-N 3.5Å; Q655-G657 PolarHBondContact O-N 3.22Å; Q655-Q658 PolarHBondContact O-N 3.46Å; Q655-Q658 VanDerWaalsContact O-N 3.15Å
656E93.3Very high92.7Very high76 Ų7652.3 Ų52.336%0.35528%0.275SS..Hα-helixtrans-75.6-13.7-176-67.5-56.6138.200113.3V618 R622 L652 Q658V618-E656 HydrophobicContact CG1-CB 3.72Å; R622-E656 WeakPolarHBondContact CD-O 2.95Å; R622-E656 PolarHBondContact NH1-O 3.04Å; L652-E656 HydrophobicContact CD1-CG 3.83Å; L652-E656 WeakPolarHBondContact O-CB 3.26Å; L652-E656 WeakPolarHBondContact O-CG 3.17Å; L652-E656 PolarHBondContact O-N 3.31Å; E656-Q658 PolarHBondContact O-N 3.02Å
657G88.9Confident92.9Very high0 Ų056.2 Ų56.20%030%0.298CS..THydrogen-bonded Turntrans-60-21.4166.600000113.2Y653 Q655 G659 I660Y653-G657 WeakPolarHBondContact O-CA 2.94Å; Y653-G657 PolarHBondContact O-N 3.27Å; Q655-G657 PolarHBondContact O-N 3.22Å; G657-G659 PolarHBondContact O-N 3.3Å; G657-I660 VanDerWaalsContact O-CB 3.3Å; G657-I660 WeakPolarHBondContact O-CB 3.49Å; G657-I660 PolarHBondContact O-N 3Å
658Q88.4Confident93.1Very high118 Ų11852.5 Ų52.555%0.55128%0.281SS*.THydrogen-bonded Turntrans48.338.5171.7-66.6178.8-1.300114.1R622 Q655 E656 I660R622-Q658 VanDerWaalsContact CZ-OE1 3.25Å; Q655-Q658 PolarHBondContact O-N 3.46Å; Q655-Q658 VanDerWaalsContact O-N 3.15Å; E656-Q658 PolarHBondContact O-N 3.02Å; Q658-I660 PolarHBondContact O-N 3.36Å
659G86.1Confident93.2Very high72 Ų7250.1 Ų50.174%0.74228%0.277SS*.THydrogen-bonded Turntrans76.7-2.7-179.100000115.5G657G657-G659 PolarHBondContact O-N 3.3Å
660I90.5Very high93.3Very high30 Ų3056.8 Ų56.815%0.15431%0.308CS..SBendtrans-70.7-39.5171.3-60179.7000109.9R574 R622 I625 D626 G657 Q658R574-I660 WeakPolarHBondContact CB-O 3.31Å; R574-I660 WeakPolarHBondContact CD-O 3.36Å; R622-I660 HydrophobicContact CB-CD1 4.08Å; R622-I660 HydrophobicContact CG-CD1 4.14Å; I625-I660 HydrophobicContact CB-CG2 4.36Å; I625-I660 HydrophobicContact CG2-CG2 4.07Å; D626-I660 HydrophobicContact CB-CG2 4.44Å; G657-I660 VanDerWaalsContact O-CB 3.3Å; G657-I660 WeakPolarHBondContact O-CB 3.49Å; G657-I660 PolarHBondContact O-N 3Å; Q658-I660 PolarHBondContact O-N 3.36Å
661F93.2Very high93.3Very high8 Ų861.1 Ų61.14%0.03533%0.329CS..  trans-144.5159.7173.463.5-105.1000112.4R574 V576 V618 L621 R622 I625 Y653R574-F661 CarbonylContact O-C 3.46Å; R574-F661 WeakPolarHBondContact O-CA 3.41Å; R574-F661 WeakPolarHBondContact O-CB 3.46Å; V576-F661 HydrophobicContact CB-CD2 3.98Å; V576-F661 HydrophobicContact CB-CE2 4.07Å; V576-F661 HydrophobicContact CG2-CB 4.24Å; V576-F661 HydrophobicContact CG2-CD1 4.09Å; V576-F661 HydrophobicContact CG2-CD2 3.36Å; V576-F661 HydrophobicContact CG2-CE1 4.21Å; V576-F661 HydrophobicContact CG2-CE2 3.54Å; V576-F661 HydrophobicContact CG2-CG 3.65Å; V576-F661 HydrophobicContact CG2-CZ 3.97Å; V618-F661 HydrophobicContact CG1-CZ 4.25Å; L621-F661 HydrophobicContact CB-CE1 4.02Å; L621-F661 HydrophobicContact CB-CZ 4.41Å; R622-F661 HydrophobicContact CG-CD1 4.3Å; R622-F661 HydrophobicContact CG-CE1 3.67Å; I625-F661 HydrophobicContact CD1-CB 3.71Å; I625-F661 HydrophobicContact CD1-CD1 3.68Å; I625-F661 HydrophobicContact CD1-CE1 4.47Å; I625-F661 HydrophobicContact CD1-CG 3.86Å; I625-F661 HydrophobicContact CG2-CB 4.28Å; Y653-F661 HydrophobicContact CD2-CZ 4.5Å; Y653-F661 VanDerWaalsContact O-CE2 3.23Å; Y653-F661 WeakPolarHBondContact O-CE2 3.35Å
662D92.9Very high93.4Very high47 Ų4755.9 Ų55.925%0.25131%0.305SS..EExtended strand (participates in β ladder)trans-99.5159.5164.174.2-12000111.5R574 R575 V576R574-D662 PolarHBondContact O-N 3.33Å; R575-D662 VanDerWaalsContact CA-OD1 3.28Å; R575-D662 WeakPolarHBondContact CA-OD1 3.18Å; R575-D662 WeakPolarHBondContact CB-OD1 3.33Å; R575-D662 WeakPolarHBondContact CG-OD1 3.24Å; R575-D662 IonicContact CZ-OD1 3.23Å; R575-D662 IonicContact CZ-OD2 2.89Å; R575-D662 VanDerWaalsContact CZ-OD2 3.23Å; R575-D662 VanDerWaalsContact NE-CG 3.33Å; R575-D662 IonicContact NE-OD1 3.02Å; R575-D662 PolarHBondContact NE-OD1 3.32Å; R575-D662 IonicContact NE-OD2 2.68Å; R575-D662 PolarHBondContact NE-OD2 3.13Å; R575-D662 IonicContact NH2-OD1 2.66Å; R575-D662 IonicContact NH2-OD2 3.55Å; R575-D662 PolarHBondContact NH2-OD2 3.04Å; V576-D662 PolarHBondContact N-O 3.48Å
663C94.8Very high93.5Very high1 Ų155.9 Ų55.91%0.00730%0.304CS..EExtended strand (participates in β ladder)trans-117.7146.2178.1-162.10000111V576 H650 A654V576-C663 CarbonylContact O-C 3.13Å; V576-C663 WeakPolarHBondContact O-CA 3.44Å; H650-C663 PolarHBondContact CD2-O 3.5Å; H650-C663 PolarHBondContact NE2-O 3.42Å; A654-C663 HydrophobicContact CB-CB 3.96Å
664R94.8Very high93.4Very high115 Ų11557 Ų5743%0.43432%0.316SS..EExtended strand (participates in β ladder)trans-134.7151.2172.5-67.3-65.8173.6-124.34110.3V576 F577 V578V576-R664 PolarHBondContact O-N 2.9Å; F577-R664 CarbonylContact C-O 3.45Å; F577-R664 WeakPolarHBondContact CA-O 3.44Å; F577-R664 HydrophobicContact CD1-CB 3.63Å; F577-R664 HydrophobicContact CE1-CB 3.52Å; F577-R664 HydrophobicContact CE1-CG 4.16Å; F577-R664 HydrophobicContact CG-CB 4.45Å; F577-R664 HydrophobicContact CZ-CB 4.27Å; F577-R664 HydrophobicContact CZ-CG 4.5Å; V578-R664 PolarHBondContact N-O 3.33Å
665C94.4Very high93.4Very high41 Ų4160.8 Ų60.828%0.27733%0.33SS..EExtended strand (participates in β ladder)trans-114.3135.8178.9-173.50000110.7V578 S646 H650V578-C665 CarbonylContact O-C 3.54Å; V578-C665 WeakPolarHBondContact O-CA 3.4Å; S646-C665 VanDerWaalsContact CB-SG 3.58Å; H650-C665 HydrophobicContact CB-CB 4.03Å
666N94.8Very high93.4Very high57 Ų5759.6 Ų59.631%0.30532%0.319SS..EExtended strand (participates in β ladder)trans-131.7113.7175.7-82.666.6000109.9I565 F577 V578 V579 E580I565-N666 HydrophobicContact CD1-CB 4.05Å; F577-N666 WeakPolarHBondContact CD1-OD1 2.83Å; V578-N666 PolarHBondContact O-N 3.24Å; V579-N666 WeakPolarHBondContact CA-O 3.23Å; V579-N666 HydrophobicContact CG2-CB 4.43Å; E580-N666 PolarHBondContact N-O 2.96Å
667V95.2Very high93.6Very high87 Ų8756.1 Ų56.153%0.52730%0.303SS..EExtended strand (participates in β ladder)trans-94.1113.6170.5-179.10000108.2E580E580-V667 HydrophobicContact CB-CB 4.45Å; E580-V667 HydrophobicContact CB-CG1 4.4Å; E580-V667 HydrophobicContact CB-CG2 4.1Å; E580-V667 WeakPolarHBondContact OE1-CG1 3.49Å
668L95.7Very high94Very high10 Ų1056.4 Ų56.45%0.05231%0.306CS..  trans-72.3-35.4-174-60.5-174.1000112.6I558 V561 V579 E580 T581 M671 Q672I558-L668 HydrophobicContact CB-CD1 4.22Å; I558-L668 HydrophobicContact CG1-CD1 3.91Å; I558-L668 HydrophobicContact CG2-CD1 3.8Å; V561-L668 HydrophobicContact CB-CD2 4.25Å; V561-L668 HydrophobicContact CG1-CD2 3.5Å; V561-L668 VanDerWaalsContact CG1-CD2 3.5Å; V579-L668 HydrophobicContact CG1-CD1 3.77Å; V579-L668 HydrophobicContact CG1-CD2 3.93Å; V579-L668 HydrophobicContact CG1-CG 3.7Å; E580-L668 PolarHBondContact O-N 3.19Å; T581-L668 HydrophobicContact CG2-CD1 4.46Å; L668-M671 WeakPolarHBondContact O-CE 3.34Å; L668-Q672 HydrophobicContact CB-CG 3.83Å; L668-Q672 HydrophobicContact CD1-CG 4.23Å
669G94.9Very high94.4Very high22 Ų2251 Ų5123%0.22728%0.28CS..G310 helixtrans56.4-144.3179.800000113M582 M671 Q672M582-G669 VanDerWaalsContact SD-O 3.37Å; G669-M671 PolarHBondContact O-N 3.32Å; G669-M671 VanDerWaalsContact O-N 3.12Å; G669-Q672 WeakPolarHBondContact O-CG 3.43Å; G669-Q672 PolarHBondContact O-N 3.26Å; G669-Q672 PolarHBondContact O-NE2 3.01Å
670H95.5Very high94.9Very high140 Ų14049.8 Ų49.865%0.64826%0.255SS*.G310 helixtrans-68.8-10.6-169.1-67.483.4000115.3Q672 Q673H670-Q672 PolarHBondContact O-N 3.27Å; H670-Q672 VanDerWaalsContact O-N 3.08Å; H670-Q673 PolarHBondContact O-N 3.47Å
671M94.3Very high95.1Very high122 Ų12248.3 Ų48.360%0.60125%0.247SC*.G310 helixtrans-57.5-24.8172.6-65.6-174.5-6900111.9L668 G669 Q673 G674L668-M671 WeakPolarHBondContact O-CE 3.34Å; G669-M671 PolarHBondContact O-N 3.32Å; G669-M671 VanDerWaalsContact O-N 3.12Å; M671-Q673 PolarHBondContact O-N 3.46Å; M671-G674 PolarHBondContact O-N 3.43Å
672Q97.2Very high95.3Very high3 Ų348.1 Ų48.11%0.01425%0.246CC..G310 helixtrans-66-15.5176.8-63.1173.390.100113.6I538 A554 I558 T581 L668 G669 H670 G674I538-Q672 HydrophobicContact CD1-CB 4.17Å; A554-Q672 WeakPolarHBondContact CA-O 3.44Å; A554-Q672 WeakPolarHBondContact CB-O 3.5Å; I558-Q672 HydrophobicContact CD1-CG 4.21Å; I558-Q672 HydrophobicContact CG1-CB 4.47Å; I558-Q672 HydrophobicContact CG1-CG 3.74Å; T581-Q672 VanDerWaalsContact CA-OE1 3.28Å; L668-Q672 HydrophobicContact CB-CG 3.83Å; L668-Q672 HydrophobicContact CD1-CG 4.23Å; G669-Q672 WeakPolarHBondContact O-CG 3.43Å; G669-Q672 PolarHBondContact O-N 3.26Å; G669-Q672 PolarHBondContact O-NE2 3.01Å; H670-Q672 PolarHBondContact O-N 3.27Å; H670-Q672 VanDerWaalsContact O-N 3.08Å; Q672-G674 PolarHBondContact O-N 2.88Å
673Q96.2Very high95.3Very high39 Ų3946.2 Ų46.218%0.18224%0.237CC..G310 helixtrans-73.7-15.8175-70.1178.7-1400113.1C421 I538 H670 M671C421-Q673 PolarHBondContact SG-O 3.5Å; I538-Q673 HydrophobicContact CD1-CG 4.26Å; I538-Q673 HydrophobicContact CG2-CG 4.42Å; H670-Q673 PolarHBondContact O-N 3.47Å; M671-Q673 PolarHBondContact O-N 3.46Å
674G94Very high95.1Very high24 Ų2447.3 Ų47.325%0.24724%0.242CC..  trans74.1163.2-176.900000113.9M671 Q672M671-G674 PolarHBondContact O-N 3.43Å; Q672-G674 PolarHBondContact O-N 2.88Å
675D92.2Very high95Very high121 Ų12141.9 Ų41.965%0.64722%0.222SC*.SBendtrans-95.5-61.6170.8171.831.8000110.1G471G471-D675 VanDerWaalsContact CA-O 3.22Å; G471-D675 WeakPolarHBondContact CA-O 3.31Å; G471-D675 PolarHBondContact N-O 3.11Å
676R94.3Very high94.9Very high118 Ų11840 Ų4045%0.44521%0.209SC..SBendtrans-107.1135177.8-64.6-174.3-173.4168.9-0.2110.6D192D192-R676 VanDerWaalsContact CB-NH1 3.25Å; D192-R676 WeakPolarHBondContact OD2-CD 3.47Å; D192-R676 IonicContact OD2-NH1 3.81Å
677P97.2Very high94.6Very high3 Ų339.9 Ų39.92%0.01921%0.206CC..  trans-62143177.723.5-30.3000111.2C421 V468 G469 D681 R682C421-P677 HydrophobicContact CB-CB 3.71Å; V468-P677 WeakPolarHBondContact O-CG 3.41Å; G469-P677 WeakPolarHBondContact O-CD 3.35Å; P677-D681 HydrophobicContact CB-CB 4.26Å; P677-R682 HydrophobicContact CB-CG 3.77Å; P677-R682 HydrophobicContact CG-CG 3.61Å; P677-R682 PolarHBondContact O-NE 2.85Å; P677-R682 PolarHBondContact O-NH2 2.82Å
678S97.7Very high94.3Very high7 Ų735.9 Ų35.95%0.04918%0.182CC..  trans-62.3159.5172.273.70000111.6D552 T553 F680 D681 R682D552-S678 WeakPolarHBondContact OD2-CB 3.49Å; D552-S678 PolarHBondContact OD2-OG 2.81Å; T553-S678 PolarHBondContact OG1-N 2.97Å; S678-F680 PolarHBondContact O-N 3.07Å; S678-D681 PolarHBondContact O-N 2.9Å; S678-D681 PolarHBondContact OG-N 3.29Å; S678-D681 VanDerWaalsContact OG-N 3.14Å; S678-R682 VanDerWaalsContact O-CG 3.29Å; S678-R682 WeakPolarHBondContact O-CG 3.26Å; S678-R682 PolarHBondContact O-N 2.93Å
679P97Very high94.1Very high3 Ų335.4 Ų35.42%0.01918%0.179CC..Hα-helixtrans-54.4-37.6174.2-20.730.6000112.6L184 H185 I188 S683L184-P679 HydrophobicContact CB-CB 3.91Å; L184-P679 HydrophobicContact CB-CG 4.09Å; H185-P679 HydrophobicContact CB-CG 4.33Å; I188-P679 HydrophobicContact CB-CG 4.16Å; I188-P679 HydrophobicContact CG1-CB 4.01Å; I188-P679 HydrophobicContact CG1-CG 3.87Å; P679-S683 WeakPolarHBondContact O-CB 3.26Å; P679-S683 PolarHBondContact O-N 2.84Å
680F95.3Very high93.8Very high47 Ų4734.5 Ų34.521%0.20617%0.169CC..Hα-helixtrans-61.3-54.5175.9-179.1-95.7000111.3F547 D552 S678 R682 S683 L684F547-F680 HydrophobicContact CB-CE1 4.44Å; F547-F680 HydrophobicContact CB-CZ 4.47Å; F547-F680 HydrophobicContact CD1-CE1 4.39Å; F547-F680 HydrophobicContact CD1-CZ 4.37Å; F547-F680 HydrophobicContact CG-CZ 4.31Å; D552-F680 HydrophobicContact CB-CB 4.29Å; D552-F680 HydrophobicContact CB-CD1 3.57Å; D552-F680 HydrophobicContact CB-CE1 4.28Å; D552-F680 HydrophobicContact CB-CG 4.23Å; S678-F680 PolarHBondContact O-N 3.07Å; F680-R682 VanDerWaalsContact C-N 3.3Å; F680-R682 PolarHBondContact O-N 3.15Å; F680-S683 PolarHBondContact O-N 2.8Å; F680-L684 HydrophobicContact CD1-CD2 4.39Å; F680-L684 HydrophobicContact CE1-CB 4.43Å; F680-L684 HydrophobicContact CE1-CD2 3.56Å; F680-L684 HydrophobicContact CZ-CD2 3.85Å; F680-L684 WeakPolarHBondContact O-CB 3.43Å; F680-L684 PolarHBondContact O-N 2.85Å
681D96.4Very high93.4Very high0 Ų031.6 Ų31.60%015%0.154CC..Hα-helixtrans-63.8-34.5-178.5-80.5-39.7000112.6G550 T553 P677 S678 G685G550-D681 WeakPolarHBondContact CA-OD2 3.48Å; G550-D681 PolarHBondContact N-OD1 3.37Å; G550-D681 PolarHBondContact N-OD2 2.9Å; T553-D681 VanDerWaalsContact CB-OD2 3.25Å; T553-D681 WeakPolarHBondContact CB-OD2 3.35Å; T553-D681 PolarHBondContact N-OD2 3.05Å; T553-D681 PolarHBondContact OG1-OD2 3.05Å; P677-D681 HydrophobicContact CB-CB 4.26Å; S678-D681 PolarHBondContact O-N 2.9Å; S678-D681 PolarHBondContact OG-N 3.29Å; S678-D681 VanDerWaalsContact OG-N 3.14Å; D681-G685 PolarHBondContact O-N 2.81Å
682R96.4Very high93.1Very high4 Ų425.8 Ų25.82%0.01513%0.126CC..Hα-helixtrans-65.1-48.8173.5-66-172.8-156.9-163.10.5111.8D192 A224 V468 P677 S678 F680 T686D192-R682 IonicContact OD1-CZ 3.22Å; D192-R682 IonicContact OD1-NH1 2.7Å; D192-R682 PolarHBondContact OD1-NH1 2.85Å; D192-R682 IonicContact OD1-NH2 3.26Å; D192-R682 IonicContact OD2-CZ 3.73Å; D192-R682 IonicContact OD2-NH1 3.77Å; D192-R682 PolarHBondContact OD2-NH1 3.44Å; D192-R682 IonicContact OD2-NH2 3.8Å; D192-R682 PolarHBondContact OD2-NH2 3.2Å; A224-R682 HydrophobicContact CB-CB 3.84Å; A224-R682 WeakPolarHBondContact O-CD 3.35Å; V468-R682 HydrophobicContact CG1-CB 3.91Å; V468-R682 HydrophobicContact CG1-CG 4.09Å; V468-R682 WeakPolarHBondContact O-CG 3.29Å; P677-R682 HydrophobicContact CB-CG 3.77Å; P677-R682 HydrophobicContact CG-CG 3.61Å; P677-R682 PolarHBondContact O-NE 2.85Å; P677-R682 PolarHBondContact O-NH2 2.82Å; S678-R682 VanDerWaalsContact O-CG 3.29Å; S678-R682 WeakPolarHBondContact O-CG 3.26Å; S678-R682 PolarHBondContact O-N 2.93Å; F680-R682 VanDerWaalsContact C-N 3.3Å; F680-R682 PolarHBondContact O-N 3.15Å; R682-T686 WeakPolarHBondContact O-CB 3.37Å; R682-T686 PolarHBondContact O-N 2.78Å; R682-T686 VanDerWaalsContact O-N 3.11Å; R682-T686 PolarHBondContact O-OG1 3.45Å
683S93.2Very high92.8Very high7 Ų725.6 Ų25.65%0.04913%0.125CC..Hα-helixtrans-67.4-45.1-178.6-175.90000111.3P679 F680 T686 K687P679-S683 WeakPolarHBondContact O-CB 3.26Å; P679-S683 PolarHBondContact O-N 2.84Å; F680-S683 PolarHBondContact O-N 2.8Å; S683-T686 WeakPolarHBondContact O-CB 3.43Å; S683-T686 PolarHBondContact O-N 3.46Å; S683-K687 VanDerWaalsContact O-CG 3.31Å; S683-K687 WeakPolarHBondContact O-CG 3.19Å; S683-K687 PolarHBondContact O-N 3.42Å; S683-K687 WeakPolarHBondContact OG-CE 3.22Å
684L91.1Very high92.4Very high24 Ų2425.8 Ų25.813%0.12613%0.127CC..Hα-helixtrans-62.7-46.9177.8-176.660.8000111F547 L549 F680 T686 K687 F688F547-L684 HydrophobicContact CB-CD2 4.43Å; L549-L684 HydrophobicContact CD2-CB 3.94Å; L549-L684 HydrophobicContact CD2-CD2 3.92Å; L549-L684 HydrophobicContact CD2-CG 3.83Å; F680-L684 HydrophobicContact CD1-CD2 4.39Å; F680-L684 HydrophobicContact CE1-CB 4.43Å; F680-L684 HydrophobicContact CE1-CD2 3.56Å; F680-L684 HydrophobicContact CZ-CD2 3.85Å; F680-L684 WeakPolarHBondContact O-CB 3.43Å; F680-L684 PolarHBondContact O-N 2.85Å; L684-T686 VanDerWaalsContact C-N 3.27Å; L684-T686 PolarHBondContact O-N 2.92Å; L684-K687 PolarHBondContact O-N 3.49Å; L684-K687 VanDerWaalsContact O-N 3.11Å; L684-F688 HydrophobicContact CD1-CD1 4.24Å; L684-F688 HydrophobicContact CD1-CD2 4.24Å; L684-F688 HydrophobicContact CD1-CE1 3.8Å; L684-F688 HydrophobicContact CD1-CE2 3.82Å; L684-F688 HydrophobicContact CD1-CG 4.45Å; L684-F688 HydrophobicContact CD1-CZ 3.58Å; L684-F688 HydrophobicContact CD2-CE2 3.68Å; L684-F688 HydrophobicContact CD2-CZ 3.87Å; L684-F688 HydrophobicContact CG-CD2 3.85Å; L684-F688 HydrophobicContact CG-CE1 4.36Å; L684-F688 HydrophobicContact CG-CE2 3.44Å; L684-F688 VanDerWaalsContact CG-CE2 3.44Å; L684-F688 HydrophobicContact CG-CG 4.48Å; L684-F688 HydrophobicContact CG-CZ 3.73Å; L684-F688 WeakPolarHBondContact O-CG 3.44Å; L684-F688 PolarHBondContact O-N 3.47Å
685G93Very high92Very high0 Ų025.1 Ų25.10%012%0.117CC..Hα-helixtrans-59.1-40176.800000112.4V426 D681 F688 A689V426-G685 WeakPolarHBondContact CG2-O 3.06Å; D681-G685 PolarHBondContact O-N 2.81Å; G685-F688 PolarHBondContact O-N 3.48Å; G685-A689 WeakPolarHBondContact O-CB 3.41Å; G685-A689 PolarHBondContact O-N 3.11Å
686T91.8Very high91.7Very high2 Ų219.4 Ų19.41%0.0129%0.087CC..Hα-helixtrans-65.2-39.3176-60.60000112.6M223 T388 L392 R682 S683 L684 A689 S690M223-T686 HydrophobicContact CE-CG2 4.25Å; T388-T686 HydrophobicContact CG2-CG2 4.33Å; L392-T686 HydrophobicContact CD1-CG2 3.15Å; R682-T686 WeakPolarHBondContact O-CB 3.37Å; R682-T686 PolarHBondContact O-N 2.78Å; R682-T686 VanDerWaalsContact O-N 3.11Å; R682-T686 PolarHBondContact O-OG1 3.45Å; S683-T686 WeakPolarHBondContact O-CB 3.43Å; S683-T686 PolarHBondContact O-N 3.46Å; L684-T686 VanDerWaalsContact C-N 3.27Å; L684-T686 PolarHBondContact O-N 2.92Å; T686-A689 WeakPolarHBondContact O-CB 3.24Å; T686-S690 PolarHBondContact O-N 2.94Å
687K88.6Confident91.4Very high54 Ų5414.9 Ų14.924%0.2357%0.071CC..Hα-helixtrans-69.5-45.8175.9-70.3168.6-175.9-176.60111.8M223 N385 T388 S683 L684 A689 S690 K691M223-K687 HydrophobicContact CE-CG 3.92Å; N385-K687 WeakPolarHBondContact OD1-CE 3.32Å; N385-K687 PolarHBondContact OD1-NZ 3.02Å; T388-K687 HydrophobicContact CG2-CG 4.39Å; S683-K687 VanDerWaalsContact O-CG 3.31Å; S683-K687 WeakPolarHBondContact O-CG 3.19Å; S683-K687 PolarHBondContact O-N 3.42Å; S683-K687 WeakPolarHBondContact OG-CE 3.22Å; L684-K687 PolarHBondContact O-N 3.49Å; L684-K687 VanDerWaalsContact O-N 3.11Å; K687-A689 VanDerWaalsContact C-N 3.27Å; K687-A689 PolarHBondContact O-N 3.49Å; K687-S690 PolarHBondContact O-N 3.47Å; K687-S690 VanDerWaalsContact O-N 3.11Å; K687-K691 PolarHBondContact O-N 3.25Å
688F89.1Confident90.8Very high4 Ų420.9 Ų20.92%0.01810%0.099CC..Hα-helixtrans-56.7-44.5175.5-75.6-30.6000110.9V534 L549 L684 G685 S690 K691 A692 I719V534-F688 HydrophobicContact CG1-CB 4.02Å; V534-F688 HydrophobicContact CG1-CD2 3.49Å; V534-F688 VanDerWaalsContact CG1-CD2 3.49Å; V534-F688 HydrophobicContact CG1-CE2 4.11Å; V534-F688 HydrophobicContact CG1-CG 3.99Å; V534-F688 HydrophobicContact CG2-CB 4.14Å; L549-F688 HydrophobicContact CD1-CD2 3.97Å; L549-F688 HydrophobicContact CD1-CE2 4.4Å; L549-F688 HydrophobicContact CD2-CD2 3.96Å; L549-F688 HydrophobicContact CD2-CE2 3.98Å; L549-F688 HydrophobicContact CG-CD2 3.89Å; L549-F688 HydrophobicContact CG-CE2 3.85Å; L684-F688 HydrophobicContact CD1-CD1 4.24Å; L684-F688 HydrophobicContact CD1-CD2 4.24Å; L684-F688 HydrophobicContact CD1-CE1 3.8Å; L684-F688 HydrophobicContact CD1-CE2 3.82Å; L684-F688 HydrophobicContact CD1-CG 4.45Å; L684-F688 HydrophobicContact CD1-CZ 3.58Å; L684-F688 HydrophobicContact CD2-CE2 3.68Å; L684-F688 HydrophobicContact CD2-CZ 3.87Å; L684-F688 HydrophobicContact CG-CD2 3.85Å; L684-F688 HydrophobicContact CG-CE1 4.36Å; L684-F688 HydrophobicContact CG-CE2 3.44Å; L684-F688 VanDerWaalsContact CG-CE2 3.44Å; L684-F688 HydrophobicContact CG-CG 4.48Å; L684-F688 HydrophobicContact CG-CZ 3.73Å; L684-F688 WeakPolarHBondContact O-CG 3.44Å; L684-F688 PolarHBondContact O-N 3.47Å; G685-F688 PolarHBondContact O-N 3.48Å; F688-S690 PolarHBondContact O-N 3.4Å; F688-K691 PolarHBondContact O-N 3.47Å; F688-A692 WeakPolarHBondContact O-CB 3.42Å; F688-A692 PolarHBondContact O-N 3Å; F688-I719 HydrophobicContact CD1-CD1 3.58Å; F688-I719 HydrophobicContact CD1-CG1 4.07Å; F688-I719 HydrophobicContact CE1-CB 3.99Å; F688-I719 HydrophobicContact CE1-CD1 3.28Å; F688-I719 HydrophobicContact CE1-CG1 3.5Å; F688-I719 HydrophobicContact CZ-CD1 4.49Å
689A91.3Very high90.1Very high0 Ų021.8 Ų21.80%010%0.102CC..Hα-helixtrans-54.8-48.4173.500000113.2V426 F430 G685 T686 K687 K691 A692 I693V426-A689 HydrophobicContact CG1-CB 4.29Å; V426-A689 WeakPolarHBondContact O-CB 3.42Å; F430-A689 HydrophobicContact CB-CB 4.11Å; F430-A689 VanDerWaalsContact N-CB 3.32Å; G685-A689 WeakPolarHBondContact O-CB 3.41Å; G685-A689 PolarHBondContact O-N 3.11Å; T686-A689 WeakPolarHBondContact O-CB 3.24Å; K687-A689 VanDerWaalsContact C-N 3.27Å; K687-A689 PolarHBondContact O-N 3.49Å; A689-K691 PolarHBondContact O-N 2.95Å; A689-A692 PolarHBondContact O-N 3.34Å; A689-I693 VanDerWaalsContact O-CG2 3.32Å; A689-I693 WeakPolarHBondContact O-CG2 3.42Å; A689-I693 PolarHBondContact O-N 2.64Å; A689-I693 VanDerWaalsContact O-N 3.11Å
690S88.6Confident89.6Confident2 Ų222 Ų221%0.01410%0.103CC..Hα-helixtrans-63.6-40.9179.5-176.30000112.5L433 T686 K687 F688 I693 D694L433-S690 VanDerWaalsContact CD1-CA 3.5Å; T686-S690 PolarHBondContact O-N 2.94Å; K687-S690 PolarHBondContact O-N 3.47Å; K687-S690 VanDerWaalsContact O-N 3.11Å; F688-S690 PolarHBondContact O-N 3.4Å; S690-I693 WeakPolarHBondContact O-CG2 3.41Å; S690-D694 WeakPolarHBondContact O-CB 3.3Å; S690-D694 VanDerWaalsContact O-CG 3.29Å; S690-D694 PolarHBondContact O-N 3.42Å
691K86.7Confident88.9Confident79 Ų7922 Ų2234%0.34311%0.105SC..Hα-helixtrans-70.2-41.3178.6-66.9-68.8-175.5172.10111.4K687 F688 A689 I693 D694 W695 L717K687-K691 PolarHBondContact O-N 3.25Å; F688-K691 PolarHBondContact O-N 3.47Å; A689-K691 PolarHBondContact O-N 2.95Å; K691-I693 PolarHBondContact O-N 3.35Å; K691-D694 PolarHBondContact O-N 3.1Å; K691-W695 VanDerWaalsContact O-CB 3.24Å; K691-W695 WeakPolarHBondContact O-CB 3.36Å; K691-W695 PolarHBondContact O-N 3.46Å; K691-L717 HydrophobicContact CB-CD2 4.02Å
692A88.9Confident88.1Confident0 Ų025.2 Ų25.20%013%0.133CC..Hα-helixtrans-59.7-46.718000000112.6F430 L503 F688 A689 L696 L717F430-A692 HydrophobicContact CD2-CB 4.03Å; F430-A692 HydrophobicContact CE2-CB 4.03Å; L503-A692 HydrophobicContact CD1-CB 3.96Å; L503-A692 HydrophobicContact CD2-CB 4.49Å; F688-A692 WeakPolarHBondContact O-CB 3.42Å; F688-A692 PolarHBondContact O-N 3Å; A689-A692 PolarHBondContact O-N 3.34Å; A692-L696 WeakPolarHBondContact O-CB 3.32Å; A692-L696 WeakPolarHBondContact O-CG 3.32Å; A692-L696 PolarHBondContact O-N 2.89Å; A692-L717 HydrophobicContact CB-CD1 3.34Å; A692-L717 HydrophobicContact CB-CD2 4.47Å
693I89.8Confident87Confident0 Ų027.2 Ų27.20%014%0.143CC..Hα-helixtrans-74.2-37.5-178-169.364.2000112.4I411 F430 L433 K437 Y439 A689 S690 K691 W695 L696 D697I411-I693 HydrophobicContact CD1-CD1 3.85Å; F430-I693 HydrophobicContact CD2-CB 3.75Å; F430-I693 HydrophobicContact CD2-CD1 4.31Å; F430-I693 HydrophobicContact CE1-CD1 4.22Å; F430-I693 HydrophobicContact CE2-CB 3.64Å; F430-I693 HydrophobicContact CE2-CD1 3.67Å; F430-I693 HydrophobicContact CE2-CG1 4.21Å; F430-I693 HydrophobicContact CZ-CB 4.48Å; F430-I693 HydrophobicContact CZ-CD1 3.62Å; L433-I693 HydrophobicContact CB-CG1 4.46Å; L433-I693 HydrophobicContact CB-CG2 3.66Å; L433-I693 HydrophobicContact CD1-CG2 3.87Å; L433-I693 HydrophobicContact CG-CG2 4.42Å; K437-I693 HydrophobicContact CD-CG1 3.85Å; Y439-I693 HydrophobicContact CD2-CD1 4.4Å; A689-I693 VanDerWaalsContact O-CG2 3.32Å; A689-I693 WeakPolarHBondContact O-CG2 3.42Å; A689-I693 PolarHBondContact O-N 2.64Å; A689-I693 VanDerWaalsContact O-N 3.11Å; S690-I693 WeakPolarHBondContact O-CG2 3.41Å; K691-I693 PolarHBondContact O-N 3.35Å; I693-W695 VanDerWaalsContact C-N 3.28Å; I693-W695 PolarHBondContact O-N 2.99Å; I693-L696 PolarHBondContact O-N 3.15Å; I693-D697 WeakPolarHBondContact O-CB 3.35Å; I693-D697 PolarHBondContact O-N 2.67Å
694D86.9Confident85.8Confident42 Ų4229.6 Ų29.623%0.22516%0.155CC..Hα-helixtrans-61.4-43.6175.8-77.9-25.7000110.4K391 K437 S690 K691 D697 E698K391-D694 IonicContact NZ-OD2 3.15Å; K391-D694 PolarHBondContact NZ-OD2 3.48Å; K437-D694 WeakPolarHBondContact CE-OD1 3.5Å; K437-D694 IonicContact NZ-OD1 2.72Å; K437-D694 PolarHBondContact NZ-OD1 2.73Å; S690-D694 WeakPolarHBondContact O-CB 3.3Å; S690-D694 VanDerWaalsContact O-CG 3.29Å; S690-D694 PolarHBondContact O-N 3.42Å; K691-D694 PolarHBondContact O-N 3.1Å; D694-D697 PolarHBondContact O-N 2.7Å; D694-E698 WeakPolarHBondContact O-CB 3.36Å; D694-E698 PolarHBondContact O-N 3.12Å
695W85.8Confident83.9Confident11 Ų1134.3 Ų34.34%0.04219%0.185CC..Hα-helixtrans-66.8-46.3177.9178.281.5000112.4P530 A532 K691 I693 D697 E698 Q699 F715 F730P530-W695 HydrophobicContact CB-CH2 4.11Å; P530-W695 HydrophobicContact CB-CZ3 4.44Å; A532-W695 HydrophobicContact CB-CE3 3.69Å; A532-W695 HydrophobicContact CB-CH2 4.45Å; A532-W695 HydrophobicContact CB-CZ3 3.52Å; K691-W695 VanDerWaalsContact O-CB 3.24Å; K691-W695 WeakPolarHBondContact O-CB 3.36Å; K691-W695 PolarHBondContact O-N 3.46Å; I693-W695 VanDerWaalsContact C-N 3.28Å; I693-W695 PolarHBondContact O-N 2.99Å; W695-D697 VanDerWaalsContact C-N 3.32Å; W695-D697 PolarHBondContact O-N 3.32Å; W695-E698 PolarHBondContact O-N 3.2Å; W695-Q699 HydrophobicContact CD2-CG 4.24Å; W695-Q699 HydrophobicContact CH2-CB 4.35Å; W695-Q699 HydrophobicContact CH2-CG 3.61Å; W695-Q699 HydrophobicContact CZ2-CB 4.26Å; W695-Q699 HydrophobicContact CZ2-CG 3.1Å; W695-Q699 HydrophobicContact CZ3-CG 4.4Å; W695-Q699 WeakPolarHBondContact O-CG 3.4Å; W695-Q699 PolarHBondContact O-N 3.31Å; W695-F715 AromaticContact CE2-CD1 3.58Å; W695-F715 AromaticContact CE2-CE1 3.88Å; W695-F715 AromaticContact CE2-CG 3.68Å; W695-F715 HydrophobicContact CH2-CB 3.37Å; W695-F715 HydrophobicContact CH2-CD1 4.01Å; W695-F715 AromaticContact CH2-CD2 3.05Å; W695-F715 HydrophobicContact CH2-CD2 3.05Å; W695-F715 HydrophobicContact CH2-CE1 4.47Å; W695-F715 AromaticContact CH2-CE2 3.6Å; W695-F715 HydrophobicContact CH2-CE2 3.6Å; W695-F715 AromaticContact CH2-CG 3.24Å; W695-F715 HydrophobicContact CH2-CG 3.24Å; W695-F715 HydrophobicContact CH2-CZ 4.26Å; W695-F715 HydrophobicContact CZ2-CB 3.38Å; W695-F715 AromaticContact CZ2-CD1 3.14Å; W695-F715 HydrophobicContact CZ2-CD1 3.14Å; W695-F715 AromaticContact CZ2-CD2 2.95Å; W695-F715 HydrophobicContact CZ2-CD2 2.95Å; W695-F715 AromaticContact CZ2-CE1 3.41Å; W695-F715 HydrophobicContact CZ2-CE1 3.41Å; W695-F715 VanDerWaalsContact CZ2-CE1 3.41Å; W695-F715 AromaticContact CZ2-CE2 3.21Å; W695-F715 HydrophobicContact CZ2-CE2 3.21Å; W695-F715 AromaticContact CZ2-CG 2.86Å; W695-F715 HydrophobicContact CZ2-CG 2.86Å; W695-F715 AromaticContact CZ2-CZ 3.4Å; W695-F715 HydrophobicContact CZ2-CZ 3.4Å; W695-F715 HydrophobicContact CZ3-CB 3.99Å; W695-F715 HydrophobicContact CZ3-CD2 4.31Å; W695-F715 HydrophobicContact CZ3-CG 4.29Å; W695-F715 AromaticContact NE1-CD1 3.73Å; W695-F715 AromaticContact NE1-CE1 3.79Å; W695-F730 HydrophobicContact CB-CE1 4.05Å; W695-F730 HydrophobicContact CB-CZ 4.3Å; W695-F730 AromaticContact CD1-CD1 3.71Å; W695-F730 AromaticContact CD1-CE1 3.19Å; W695-F730 AromaticContact CD1-CZ 3.45Å; W695-F730 VanDerWaalsContact CD1-CZ 3.45Å; W695-F730 HydrophobicContact CD2-CE1 4.33Å; W695-F730 HydrophobicContact CG-CD1 4.23Å; W695-F730 AromaticContact CG-CE1 3.54Å; W695-F730 HydrophobicContact CG-CE1 3.54Å; W695-F730 HydrophobicContact CG-CZ 4.02Å; W695-F730 AromaticContact NE1-CD1 3.85Å; W695-F730 AromaticContact NE1-CE1 3.83Å
696L87.2Confident81.6Confident0 Ų041.3 Ų41.30%022%0.217CC..Hα-helixtrans-61-41.9176-84.4170.2000111.7I411 F430 P530 A692 I693 Q699 I700I411-L696 HydrophobicContact CG2-CD1 4.17Å; F430-L696 HydrophobicContact CE2-CD1 3.74Å; F430-L696 HydrophobicContact CZ-CD1 3.54Å; P530-L696 HydrophobicContact CB-CD2 3.76Å; A692-L696 WeakPolarHBondContact O-CB 3.32Å; A692-L696 WeakPolarHBondContact O-CG 3.32Å; A692-L696 PolarHBondContact O-N 2.89Å; I693-L696 PolarHBondContact O-N 3.15Å; L696-Q699 PolarHBondContact O-N 2.93Å; L696-I700 HydrophobicContact CB-CD1 4.48Å; L696-I700 VanDerWaalsContact O-CB 3.32Å; L696-I700 WeakPolarHBondContact O-CB 3.43Å; L696-I700 WeakPolarHBondContact O-CD1 3.24Å; L696-I700 WeakPolarHBondContact O-CG1 3.26Å; L696-I700 PolarHBondContact O-N 3.44Å
697D87.3Confident79.1Confident24 Ų2448.3 Ų48.313%0.12825%0.253CS..Hα-helixtrans-62.4-45178.2-179.250.2000111.8K437 Y439 I693 D694 W695 N701K437-D697 HydrophobicContact CD-CB 3.86Å; K437-D697 IonicContact NZ-OD2 3.67Å; K437-D697 PolarHBondContact NZ-OD2 3.34Å; Y439-D697 HydrophobicContact CE2-CB 4.11Å; Y439-D697 VanDerWaalsContact CE2-OD1 3.29Å; Y439-D697 WeakPolarHBondContact CE2-OD1 3.28Å; Y439-D697 PolarHBondContact OH-OD1 3.31Å; I693-D697 WeakPolarHBondContact O-CB 3.35Å; I693-D697 PolarHBondContact O-N 2.67Å; D694-D697 PolarHBondContact O-N 2.7Å; W695-D697 VanDerWaalsContact C-N 3.32Å; W695-D697 PolarHBondContact O-N 3.32Å; D697-N701 WeakPolarHBondContact O-CB 3.5Å; D697-N701 VanDerWaalsContact O-CG 3.25Å; D697-N701 PolarHBondContact O-N 3.48Å; D697-N701 PolarHBondContact O-ND2 3.18Å; D697-N701 PolarHBondContact OD1-ND2 2.87Å
698E85.2Confident76.9Confident128 Ų12851 Ų5160%0.59827%0.269SS*.Hα-helixtrans-59.2-49175-175.6176.7-173.500111.5D694 W695 N701 A702D694-E698 WeakPolarHBondContact O-CB 3.36Å; D694-E698 PolarHBondContact O-N 3.12Å; W695-E698 PolarHBondContact O-N 3.2Å; E698-N701 PolarHBondContact O-N 3.35Å; E698-A702 WeakPolarHBondContact O-CB 3.36Å; E698-A702 PolarHBondContact O-N 3.36Å
699Q83.4Confident74.5Confident26 Ų2659.3 Ų59.312%0.12131%0.308CS..Hα-helixtrans-66.5-41.8-179.8-68.6-47.4-56.100113.5P530 W695 L696 N703 F715P530-Q699 HydrophobicContact CB-CB 3.85Å; P530-Q699 HydrophobicContact CG-CB 3.76Å; W695-Q699 HydrophobicContact CD2-CG 4.24Å; W695-Q699 HydrophobicContact CH2-CB 4.35Å; W695-Q699 HydrophobicContact CH2-CG 3.61Å; W695-Q699 HydrophobicContact CZ2-CB 4.26Å; W695-Q699 HydrophobicContact CZ2-CG 3.1Å; W695-Q699 HydrophobicContact CZ3-CG 4.4Å; W695-Q699 WeakPolarHBondContact O-CG 3.4Å; W695-Q699 PolarHBondContact O-N 3.31Å; L696-Q699 PolarHBondContact O-N 2.93Å; Q699-N703 WeakPolarHBondContact O-CB 2.97Å; Q699-N703 PolarHBondContact O-N 3Å; Q699-N703 PolarHBondContact O-ND2 2.91Å; Q699-F715 HydrophobicContact CG-CE2 4.2Å; Q699-F715 HydrophobicContact CG-CZ 4.17Å
700I84.8Confident72.1Confident8 Ų863.2 Ų63.24%0.04134%0.335CS..Hα-helixtrans-62.1-50.2178.6-71.2165.8000108.5L409 I411 Y439 P530 L696 A702 N703 I704L409-I700 HydrophobicContact CD1-CG2 3.88Å; I411-I700 HydrophobicContact CD1-CD1 3.81Å; I411-I700 HydrophobicContact CG1-CD1 4.03Å; Y439-I700 HydrophobicContact CE1-CD1 4.1Å; Y439-I700 HydrophobicContact CE1-CG2 4.23Å; P530-I700 HydrophobicContact CB-CG1 4.41Å; P530-I700 HydrophobicContact CG-CG1 3.97Å; L696-I700 HydrophobicContact CB-CD1 4.48Å; L696-I700 VanDerWaalsContact O-CB 3.32Å; L696-I700 WeakPolarHBondContact O-CB 3.43Å; L696-I700 WeakPolarHBondContact O-CD1 3.24Å; L696-I700 WeakPolarHBondContact O-CG1 3.26Å; L696-I700 PolarHBondContact O-N 3.44Å; I700-A702 PolarHBondContact O-N 3.1Å; I700-N703 PolarHBondContact O-N 3.49Å; I700-N703 VanDerWaalsContact O-N 3.11Å; I700-I704 HydrophobicContact CG2-CD1 4.01Å; I700-I704 HydrophobicContact CG2-CG1 4.18Å; I700-I704 VanDerWaalsContact O-CG1 3.28Å; I700-I704 WeakPolarHBondContact O-CG1 3.4Å; I700-I704 PolarHBondContact O-N 2.7Å
701N81.9Confident70.1Confident46 Ų4664.4 Ų64.425%0.24634%0.341CS..Hα-helixtrans-63.5-38.2-178.4-69.7-42000113.2D697 E698 N703D697-N701 WeakPolarHBondContact O-CB 3.5Å; D697-N701 VanDerWaalsContact O-CG 3.25Å; D697-N701 PolarHBondContact O-N 3.48Å; D697-N701 PolarHBondContact O-ND2 3.18Å; D697-N701 PolarHBondContact OD1-ND2 2.87Å; E698-N701 PolarHBondContact O-N 3.35Å; N701-N703 PolarHBondContact O-N 3.01Å
702A79.4Confident68.2Low69 Ų6968.8 Ų68.857%0.5736%0.363SS*.Hα-helixtrans-64-29.817600000113E698 I700E698-A702 WeakPolarHBondContact O-CB 3.36Å; E698-A702 PolarHBondContact O-N 3.36Å; I700-A702 PolarHBondContact O-N 3.1Å
703N73Confident66.2Low45 Ų4572.8 Ų72.824%0.24138%0.381CS..Hα-helixtrans-108.2-0.3-171.5-65.9-68.8000114.7Q699 I700 N701 V705 I711Q699-N703 WeakPolarHBondContact O-CB 2.97Å; Q699-N703 PolarHBondContact O-N 3Å; Q699-N703 PolarHBondContact O-ND2 2.91Å; I700-N703 PolarHBondContact O-N 3.49Å; I700-N703 VanDerWaalsContact O-N 3.11Å; N701-N703 PolarHBondContact O-N 3.01Å; N703-V705 PolarHBondContact O-N 3.01Å; N703-I711 HydrophobicContact CB-CD1 4.18Å
704I67.1Low64.1Low58 Ų5873 Ų7330%0.29738%0.382SS..SBendtrans-60.3-31.5177.7-83.7164.4000112.7M403 L409 I700M403-I704 HydrophobicContact CE-CB 4.29Å; M403-I704 HydrophobicContact CE-CD1 4.08Å; M403-I704 HydrophobicContact CE-CG2 3.88Å; L409-I704 HydrophobicContact CD1-CD1 3.66Å; L409-I704 HydrophobicContact CD1-CG1 4.44Å; I700-I704 HydrophobicContact CG2-CD1 4.01Å; I700-I704 HydrophobicContact CG2-CG1 4.18Å; I700-I704 VanDerWaalsContact O-CG1 3.28Å; I700-I704 WeakPolarHBondContact O-CG1 3.4Å; I700-I704 PolarHBondContact O-N 2.7Å
705V52.5Low62.4Low123 Ų12371.6 Ų71.675%0.74537%0.374SS*.SBendtrans-93.6-21.1-169.5-174.70000113N703N703-V705 PolarHBondContact O-N 3.01Å
706Q45Very low60.5Low147 Ų14771.2 Ų71.269%0.68737%0.373SS*.SBendtrans-95.9110.5176.7-87.9178.5-11.900110.4L708Q706-L708 PolarHBondContact O-N 3.07Å
707I39.2Very low58.6Low149 Ų14971.4 Ų71.476%0.76437%0.374SS*.  trans-44.5105.1169.1-64.2167000109.6Q709I707-Q709 PolarHBondContact O-N 3.03Å
708L41.7Very low56.6Low109 Ų10971.1 Ų71.157%0.57137%0.372SS*.SBendtrans34.97.2146.6-80.7162.5000121.5C528 Q706C528-L708 HydrophobicContact CB-CD2 4.32Å; Q706-L708 PolarHBondContact O-N 3.07Å
709Q39.1Very low54.7Low180 Ų18067 Ų6784%0.84135%0.353SS*.SBendtrans-106.3-0.7-166.6-81.7-167.4-25.600116.2I707I707-Q709 PolarHBondContact O-N 3.03Å
710S40.3Very low52.7Low81 Ų8167.9 Ų67.957%0.56636%0.359SS*.  trans-163.359.3168.664.70000114.1H712S710-H712 PolarHBondContact O-N 3.29Å; S710-H712 VanDerWaalsContact O-N 3.11Å
711I46.8Very low50.6Low28 Ų2871.2 Ų71.214%0.14437%0.371CS..  trans-84.378.8161.4-60.9167.9000107R521 C528 N703 Q713R521-I711 PolarHBondContact NH1-O 3.42Å; C528-I711 WeakPolarHBondContact O-CD1 3.43Å; N703-I711 HydrophobicContact CB-CD1 4.18Å; I711-Q713 PolarHBondContact O-N 3.04Å
712H46.7Very low48.3Very low170 Ų17075.8 Ų75.879%0.78739%0.386SS*.  trans-76.1-6169.1-85.1-64.5000112.6S710S710-H712 PolarHBondContact O-N 3.29Å; S710-H712 VanDerWaalsContact O-N 3.11Å
713Q47.2Very low46.3Very low84 Ų8474.4 Ų74.439%0.39337%0.371SS..  trans-97.2110.5-172.6-59.2-171.1-19.200110.4R521 I711 F715 Y732R521-Q713 PolarHBondContact NH1-O 3.46Å; R521-Q713 PolarHBondContact NH2-O 2.76Å; R521-Q713 VanDerWaalsContact NH2-O 3.12Å; I711-Q713 PolarHBondContact O-N 3.04Å; Q713-F715 HydrophobicContact CB-CD2 4.17Å; Q713-F715 HydrophobicContact CB-CE1 4.24Å; Q713-F715 HydrophobicContact CB-CE2 3.21Å; Q713-F715 HydrophobicContact CB-CZ 3.29Å; Q713-F715 HydrophobicContact CG-CZ 4.2Å; Q713-F715 WeakPolarHBondContact O-CD2 3.46Å; Q713-F715 VanDerWaalsContact O-CE2 3.26Å; Q713-F715 WeakPolarHBondContact O-CE2 3.36Å; Q713-F715 VanDerWaalsContact OE1-CZ 3.31Å; Q713-Y732 HydrophobicContact CB-CE1 3.84Å; Q713-Y732 VanDerWaalsContact CD-OH 3.31Å; Q713-Y732 HydrophobicContact CG-CE1 3.9Å; Q713-Y732 PolarHBondContact NE2-OH 3.49Å; Q713-Y732 VanDerWaalsContact NE2-OH 3.15Å
714T46.5Very low44.5Very low4 Ų476.4 Ų76.43%0.02539%0.385CS..  trans-119135.2172.5-16.80000107.6M514 V518 R521 M531 Y732M514-T714 HydrophobicContact SD-CG2 3.99Å; V518-T714 HydrophobicContact CB-CG2 4.18Å; V518-T714 HydrophobicContact CG1-CG2 4.46Å; V518-T714 WeakPolarHBondContact CG1-OG1 3.1Å; V518-T714 HydrophobicContact CG2-CG2 3.23Å; V518-T714 WeakPolarHBondContact CG2-OG1 3.33Å; R521-T714 VanDerWaalsContact CZ-OG1 3.28Å; R521-T714 PolarHBondContact NH1-OG1 3.42Å; M531-T714 HydrophobicContact CB-CG2 4.2Å; M531-T714 HydrophobicContact CE-CG2 3.78Å; M531-T714 HydrophobicContact CG-CG2 4.48Å; M531-T714 HydrophobicContact SD-CG2 4.47Å; T714-Y732 WeakPolarHBondContact O-CD1 3.45Å
715F51.1Low43Very low13 Ų1376.1 Ų76.16%0.05739%0.389CS..EExtended strand (participates in β ladder)trans-124.5138.7-160.1-59.3-104.6000110.2M514 M531 A532 W695 Q699 Q713 Y732M514-F715 WeakPolarHBondContact CE-O 3.42Å; M531-F715 CarbonylContact O-C 3.59Å; M531-F715 WeakPolarHBondContact O-CB 3.48Å; M531-F715 PolarHBondContact O-N 3.12Å; A532-F715 HydrophobicContact CB-CB 4.36Å; W695-F715 AromaticContact CE2-CD1 3.58Å; W695-F715 AromaticContact CE2-CE1 3.88Å; W695-F715 AromaticContact CE2-CG 3.68Å; W695-F715 HydrophobicContact CH2-CB 3.37Å; W695-F715 HydrophobicContact CH2-CD1 4.01Å; W695-F715 AromaticContact CH2-CD2 3.05Å; W695-F715 HydrophobicContact CH2-CD2 3.05Å; W695-F715 HydrophobicContact CH2-CE1 4.47Å; W695-F715 AromaticContact CH2-CE2 3.6Å; W695-F715 HydrophobicContact CH2-CE2 3.6Å; W695-F715 AromaticContact CH2-CG 3.24Å; W695-F715 HydrophobicContact CH2-CG 3.24Å; W695-F715 HydrophobicContact CH2-CZ 4.26Å; W695-F715 HydrophobicContact CZ2-CB 3.38Å; W695-F715 AromaticContact CZ2-CD1 3.14Å; W695-F715 HydrophobicContact CZ2-CD1 3.14Å; W695-F715 AromaticContact CZ2-CD2 2.95Å; W695-F715 HydrophobicContact CZ2-CD2 2.95Å; W695-F715 AromaticContact CZ2-CE1 3.41Å; W695-F715 HydrophobicContact CZ2-CE1 3.41Å; W695-F715 VanDerWaalsContact CZ2-CE1 3.41Å; W695-F715 AromaticContact CZ2-CE2 3.21Å; W695-F715 HydrophobicContact CZ2-CE2 3.21Å; W695-F715 AromaticContact CZ2-CG 2.86Å; W695-F715 HydrophobicContact CZ2-CG 2.86Å; W695-F715 AromaticContact CZ2-CZ 3.4Å; W695-F715 HydrophobicContact CZ2-CZ 3.4Å; W695-F715 HydrophobicContact CZ3-CB 3.99Å; W695-F715 HydrophobicContact CZ3-CD2 4.31Å; W695-F715 HydrophobicContact CZ3-CG 4.29Å; W695-F715 AromaticContact NE1-CD1 3.73Å; W695-F715 AromaticContact NE1-CE1 3.79Å; Q699-F715 HydrophobicContact CG-CE2 4.2Å; Q699-F715 HydrophobicContact CG-CZ 4.17Å; Q713-F715 HydrophobicContact CB-CD2 4.17Å; Q713-F715 HydrophobicContact CB-CE1 4.24Å; Q713-F715 HydrophobicContact CB-CE2 3.21Å; Q713-F715 HydrophobicContact CB-CZ 3.29Å; Q713-F715 HydrophobicContact CG-CZ 4.2Å; Q713-F715 WeakPolarHBondContact O-CD2 3.46Å; Q713-F715 VanDerWaalsContact O-CE2 3.26Å; Q713-F715 WeakPolarHBondContact O-CE2 3.36Å; Q713-F715 VanDerWaalsContact OE1-CZ 3.31Å; F715-Y732 HydrophobicContact CE1-CE1 4.36Å
716M44.8Very low42.5Very low3 Ų374.1 Ų74.12%0.01538%0.38CS..EExtended strand (participates in β ladder)trans-108.5131.4163.2-145.6-170.3-40.200105.2Y511 M533 Y718 L736Y511-M716 HydrophobicContact CD2-CE 3.33Å; Y511-M716 HydrophobicContact CD2-SD 3.77Å; Y511-M716 HydrophobicContact CE2-CE 3.14Å; Y511-M716 HydrophobicContact CE2-SD 4.18Å; M533-M716 HydrophobicContact CB-CG 3.6Å; M533-M716 HydrophobicContact CG-CG 4.05Å; M533-M716 HydrophobicContact SD-CG 3.68Å; M533-M716 HydrophobicContact SD-SD 3.75Å; M716-Y718 PolarHBondContact O-N 2.92Å; M716-L736 HydrophobicContact CE-CB 4.37Å; M716-L736 HydrophobicContact CE-CD1 3.27Å; M716-L736 HydrophobicContact CE-CG 4.41Å; M716-L736 HydrophobicContact SD-CD1 4.17Å
717L48.3Very low42.2Very low5 Ų573.2 Ų73.23%0.02638%0.38CS..EExtended strand (participates in β ladder)trans-67.4116.9167.3-78.3127.8000106.5L503 A532 M533 V534 K691 A692 F730L503-L717 HydrophobicContact CD1-CD1 4.41Å; A532-L717 HydrophobicContact CB-CD1 3.66Å; A532-L717 HydrophobicContact CB-CG 4.12Å; M533-L717 VanDerWaalsContact O-CB 3.26Å; M533-L717 WeakPolarHBondContact O-CB 3.37Å; M533-L717 PolarHBondContact O-N 3.33Å; V534-L717 HydrophobicContact CG2-CD1 4.13Å; K691-L717 HydrophobicContact CB-CD2 4.02Å; A692-L717 HydrophobicContact CB-CD1 3.34Å; A692-L717 HydrophobicContact CB-CD2 4.47Å; L717-F730 HydrophobicContact CD2-CE1 4.12Å
718Y45.8Very low42.3Very low18 Ų1870.8 Ų70.87%0.07137%0.369CS..  trans-112.699.6-176.3173.7-95.1000105.6G544 M716 N720 N728 L729 K731 L736G544-Y718 VanDerWaalsContact C-CE2 3.47Å; G544-Y718 WeakPolarHBondContact O-CD2 3.25Å; G544-Y718 WeakPolarHBondContact O-CE2 3.31Å; M716-Y718 PolarHBondContact O-N 2.92Å; Y718-N720 HydrophobicContact CD1-CB 3.87Å; Y718-N720 HydrophobicContact CE1-CB 3.09Å; Y718-N720 HydrophobicContact CE2-CB 4.35Å; Y718-N720 PolarHBondContact O-N 3.17Å; Y718-N720 WeakPolarHBondContact OH-CB 3.33Å; Y718-N720 PolarHBondContact OH-ND2 3.44Å; Y718-N728 WeakPolarHBondContact CD1-O 3.45Å; Y718-L729 CarbonylContact C-O 3.58Å; Y718-L729 PolarHBondContact N-O 3.1Å; Y718-L729 VanDerWaalsContact N-O 3.15Å; Y718-L729 CarbonylContact O-C 3.54Å; Y718-L729 VanDerWaalsContact O-CA 3.22Å; Y718-L729 WeakPolarHBondContact O-CA 3.26Å; Y718-K731 HydrophobicContact CD1-CB 4.49Å; Y718-K731 HydrophobicContact CD1-CD 4.44Å; Y718-K731 HydrophobicContact CD1-CG 3.97Å; Y718-K731 HydrophobicContact CD2-CB 3.99Å; Y718-K731 HydrophobicContact CD2-CD 4.02Å; Y718-K731 HydrophobicContact CD2-CG 4.01Å; Y718-K731 HydrophobicContact CE1-CD 4Å; Y718-K731 HydrophobicContact CE1-CG 3.95Å; Y718-K731 HydrophobicContact CE2-CB 4.43Å; Y718-K731 HydrophobicContact CE2-CD 3.6Å; Y718-K731 HydrophobicContact CE2-CG 4.05Å; Y718-K731 HydrophobicContact CG-CB 4.06Å; Y718-K731 HydrophobicContact CG-CD 4.46Å; Y718-K731 HydrophobicContact CG-CG 4.01Å; Y718-K731 WeakPolarHBondContact OH-CE 3.2Å; Y718-K731 PolarHBondContact OH-NZ 2.75Å; Y718-L736 HydrophobicContact CD2-CD1 4.28Å; Y718-L736 HydrophobicContact CE2-CD2 4.39Å
719I44.4Very low42.6Very low40 Ų4066.7 Ų66.721%0.20535%0.347CS..  trans-91.999.9162.6-60-157.9000106.7T545 F688 L729T545-I719 PolarHBondContact OG1-O 3.11Å; F688-I719 HydrophobicContact CD1-CD1 3.58Å; F688-I719 HydrophobicContact CD1-CG1 4.07Å; F688-I719 HydrophobicContact CE1-CB 3.99Å; F688-I719 HydrophobicContact CE1-CD1 3.28Å; F688-I719 HydrophobicContact CE1-CG1 3.5Å; F688-I719 HydrophobicContact CZ-CD1 4.49Å; I719-L729 HydrophobicContact CB-CD2 4.44Å; I719-L729 HydrophobicContact CD1-CD2 4.03Å; I719-L729 HydrophobicContact CG1-CD2 3.64Å
720N41.5Very low43.3Very low45 Ų4561.6 Ų61.624%0.24132%0.322CS..  trans-92.4125154.2-174-11000107.7Y718 Y722Y718-N720 HydrophobicContact CD1-CB 3.87Å; Y718-N720 HydrophobicContact CE1-CB 3.09Å; Y718-N720 HydrophobicContact CE2-CB 4.35Å; Y718-N720 PolarHBondContact O-N 3.17Å; Y718-N720 WeakPolarHBondContact OH-CB 3.33Å; Y718-N720 PolarHBondContact OH-ND2 3.44Å; N720-Y722 PolarHBondContact O-N 3.03Å; N720-Y722 VanDerWaalsContact OD1-CD2 3.31Å; N720-Y722 WeakPolarHBondContact OD1-CD2 3.42Å
721W40.4Very low44Very low79 Ų7961.2 Ų61.230%0.29931%0.31SS..THydrogen-bonded Turntrans-72.6-12.8-162.4-146.3-13.3000113.2G344 N345 D546 F547 C723G344-W721 VanDerWaalsContact C-CE2 3.44Å; G344-W721 WeakPolarHBondContact O-CH2 3.41Å; G344-W721 VanDerWaalsContact O-CZ2 3.3Å; G344-W721 WeakPolarHBondContact O-CZ2 3.44Å; N345-W721 VanDerWaalsContact CA-CZ3 3.5Å; N345-W721 HydrophobicContact CB-CD2 4.07Å; N345-W721 HydrophobicContact CB-CE3 3.21Å; N345-W721 HydrophobicContact CB-CH2 4.21Å; N345-W721 HydrophobicContact CB-CZ3 3.25Å; N345-W721 WeakPolarHBondContact OD1-CZ3 3.49Å; D546-W721 WeakPolarHBondContact OD2-CB 3.42Å; D546-W721 PolarHBondContact OD2-N 2.96Å; F547-W721 AromaticContact CD2-CE3 3.69Å; F547-W721 HydrophobicContact CD2-CE3 3.69Å; F547-W721 AromaticContact CD2-CZ3 3.71Å; F547-W721 HydrophobicContact CD2-CZ3 3.71Å; F547-W721 HydrophobicContact CE2-CD2 4.46Å; F547-W721 AromaticContact CE2-CE3 3.21Å; F547-W721 HydrophobicContact CE2-CE3 3.21Å; F547-W721 HydrophobicContact CE2-CH2 4.04Å; F547-W721 AromaticContact CE2-CZ3 2.97Å; F547-W721 HydrophobicContact CE2-CZ3 2.97Å; F547-W721 HydrophobicContact CZ-CE3 4.15Å; F547-W721 HydrophobicContact CZ-CH2 4.3Å; F547-W721 AromaticContact CZ-CZ3 3.46Å; F547-W721 HydrophobicContact CZ-CZ3 3.46Å; F547-W721 VanDerWaalsContact CZ-CZ3 3.46Å; W721-C723 PolarHBondContact O-N 2.79Å
722Y33.9Very low44.4Very low142 Ų14263.9 Ų63.956%0.55732%0.319SS*.THydrogen-bonded Turntrans-720.2-179.3-74.1-71.4000115.9Q346 N720Q346-Y722 HydrophobicContact CB-CE1 4.29Å; Q346-Y722 VanDerWaalsContact OE1-CE1 3.32Å; N720-Y722 PolarHBondContact O-N 3.03Å; N720-Y722 VanDerWaalsContact OD1-CD2 3.31Å; N720-Y722 WeakPolarHBondContact OD1-CD2 3.42Å
723C36.7Very low45Very low40 Ų4055.8 Ų55.827%0.2728%0.282SS..  trans-128.7101.3-173.5-74.50000112.2W721 S725 N728W721-C723 PolarHBondContact O-N 2.79Å; C723-S725 PolarHBondContact O-N 3.28Å; C723-N728 HydrophobicContact CB-CB 4.14Å
724T35.6Very low46.1Very low86 Ų8655.5 Ų55.553%0.52828%0.282SS..SBendtrans-66.4-19.3161.145.20000112.3T380T380-T724 HydrophobicContact CG2-CG2 3.89Å
725S36.5Very low47.5Very low53 Ų5360.1 Ų60.137%0.37130%0.304SS..SBendtrans-83.6143.3174.562.40000111.7C723 D727C723-S725 PolarHBondContact O-N 3.28Å; S725-D727 PolarHBondContact O-N 3.4Å
726S40.5Very low48.9Very low81 Ų8159.8 Ų59.857%0.56630%0.303SS*.G310 helixtrans-53.5-18175.137.60000114.8N728S726-N728 PolarHBondContact O-N 2.9Å
727D39.6Very low50.7Low127 Ų12763.6 Ų63.668%0.67932%0.317SS*.G310 helixtrans-84.2-11.9-156.8-62.1-9.5000114.2S725S725-D727 PolarHBondContact O-N 3.4Å
728N41.2Very low52.5Low99 Ų9970.5 Ų70.553%0.52935%0.349SS..G310 helixtrans-127.519.9-179.4-78.7-25.5000114.2Y718 C723 S726 F730Y718-N728 WeakPolarHBondContact CD1-O 3.45Å; C723-N728 HydrophobicContact CB-CB 4.14Å; S726-N728 PolarHBondContact O-N 2.9Å; N728-F730 PolarHBondContact O-N 2.89Å
729L48.8Very low54.3Low22 Ų2273.9 Ų73.912%0.11537%0.365CS..SBendtrans-75.25.7176-87.7158.3000114.1Y718 I719Y718-L729 CarbonylContact C-O 3.58Å; Y718-L729 PolarHBondContact N-O 3.1Å; Y718-L729 VanDerWaalsContact N-O 3.15Å; Y718-L729 CarbonylContact O-C 3.54Å; Y718-L729 VanDerWaalsContact O-CA 3.22Å; Y718-L729 WeakPolarHBondContact O-CA 3.26Å; I719-L729 HydrophobicContact CB-CD2 4.44Å; I719-L729 HydrophobicContact CD1-CD2 4.03Å; I719-L729 HydrophobicContact CG1-CD2 3.64Å
730F52.8Low56.5Low73 Ų7372.3 Ų72.332%0.3236%0.358SS..EExtended strand (participates in β ladder)trans-144.8120.2-167.3-48.7-74.8000109.7W695 L717 N728W695-F730 HydrophobicContact CB-CE1 4.05Å; W695-F730 HydrophobicContact CB-CZ 4.3Å; W695-F730 AromaticContact CD1-CD1 3.71Å; W695-F730 AromaticContact CD1-CE1 3.19Å; W695-F730 AromaticContact CD1-CZ 3.45Å; W695-F730 VanDerWaalsContact CD1-CZ 3.45Å; W695-F730 HydrophobicContact CD2-CE1 4.33Å; W695-F730 HydrophobicContact CG-CD1 4.23Å; W695-F730 AromaticContact CG-CE1 3.54Å; W695-F730 HydrophobicContact CG-CE1 3.54Å; W695-F730 HydrophobicContact CG-CZ 4.02Å; W695-F730 AromaticContact NE1-CD1 3.85Å; W695-F730 AromaticContact NE1-CE1 3.83Å; L717-F730 HydrophobicContact CD2-CE1 4.12Å; N728-F730 PolarHBondContact O-N 2.89Å
731K54.6Low59Low73 Ų7372.4 Ų72.432%0.31736%0.358SS..EExtended strand (participates in β ladder)trans-119.3142164.9-77.3-166.7179.2177.60109.5Y718 S733 L736Y718-K731 HydrophobicContact CD1-CB 4.49Å; Y718-K731 HydrophobicContact CD1-CD 4.44Å; Y718-K731 HydrophobicContact CD1-CG 3.97Å; Y718-K731 HydrophobicContact CD2-CB 3.99Å; Y718-K731 HydrophobicContact CD2-CD 4.02Å; Y718-K731 HydrophobicContact CD2-CG 4.01Å; Y718-K731 HydrophobicContact CE1-CD 4Å; Y718-K731 HydrophobicContact CE1-CG 3.95Å; Y718-K731 HydrophobicContact CE2-CB 4.43Å; Y718-K731 HydrophobicContact CE2-CD 3.6Å; Y718-K731 HydrophobicContact CE2-CG 4.05Å; Y718-K731 HydrophobicContact CG-CB 4.06Å; Y718-K731 HydrophobicContact CG-CD 4.46Å; Y718-K731 HydrophobicContact CG-CG 4.01Å; Y718-K731 WeakPolarHBondContact OH-CE 3.2Å; Y718-K731 PolarHBondContact OH-NZ 2.75Å; K731-S733 PolarHBondContact O-N 3.41Å; K731-L736 HydrophobicContact CB-CD1 4.14Å; K731-L736 HydrophobicContact CB-CG 4.36Å; K731-L736 HydrophobicContact CD-CD2 4.19Å; K731-L736 HydrophobicContact CD-CG 4.5Å
732Y56.2Low61.5Low84 Ų8472.2 Ų72.233%0.32936%0.359SS..EExtended strand (participates in β ladder)trans-67.1132175.6-69.3-79.2000109Q713 T714 F715 L734 E735 L736Q713-Y732 HydrophobicContact CB-CE1 3.84Å; Q713-Y732 VanDerWaalsContact CD-OH 3.31Å; Q713-Y732 HydrophobicContact CG-CE1 3.9Å; Q713-Y732 PolarHBondContact NE2-OH 3.49Å; Q713-Y732 VanDerWaalsContact NE2-OH 3.15Å; T714-Y732 WeakPolarHBondContact O-CD1 3.45Å; F715-Y732 HydrophobicContact CE1-CE1 4.36Å; Y732-L734 PolarHBondContact O-N 3.01Å; Y732-E735 WeakPolarHBondContact O-CB 3.46Å; Y732-E735 PolarHBondContact O-N 3.43Å; Y732-L736 PolarHBondContact O-N 2.88Å
733S59.9Low64.3Low1 Ų171.1 Ų71.11%0.00737%0.367CS..THydrogen-bonded Turntrans-55.1-28.6-176.456.20000113.4Y511 V518 K731Y511-S733 PolarHBondContact OH-O 2.88Å; V518-S733 WeakPolarHBondContact CG2-OG 3.28Å; K731-S733 PolarHBondContact O-N 3.41Å
734L68.6Low67.1Low77 Ų7771.7 Ų71.740%0.40337%0.366SS..THydrogen-bonded Turntrans-72.3-33.4176.2-67.6171.5000113.6V518 Y732 L736 R737V518-L734 HydrophobicContact CG1-CD1 3.89Å; V518-L734 HydrophobicContact CG1-CG 4.27Å; Y732-L734 PolarHBondContact O-N 3.01Å; L734-L736 VanDerWaalsContact C-N 3.28Å; L734-L736 PolarHBondContact O-N 3.45Å; L734-R737 VanDerWaalsContact O-CB 3.31Å; L734-R737 WeakPolarHBondContact O-CB 3.38Å; L734-R737 PolarHBondContact O-N 3.35Å
735E75.9Confident69.9Low102 Ų10270.9 Ų70.948%0.47735%0.353SS..G310 helixtrans-67.8-32.7176.5-67.6172.7176.300111.4Y732 R737 E738 H739Y732-E735 WeakPolarHBondContact O-CB 3.46Å; Y732-E735 PolarHBondContact O-N 3.43Å; E735-R737 PolarHBondContact O-N 3.47Å; E735-E738 PolarHBondContact O-N 3.15Å; E735-H739 PolarHBondContact O-ND1 3.48Å
736L80.1Confident72.5Confident6 Ų668.8 Ų68.83%0.03134%0.338CS..G310 helixtrans-71.2-16.4178-74.1165.8000113Y511 M716 Y718 K731 Y732 L734 E738 H739 T740Y511-L736 HydrophobicContact CE2-CB 4.48Å; Y511-L736 VanDerWaalsContact OH-C 3.27Å; Y511-L736 WeakPolarHBondContact OH-CB 3.44Å; M716-L736 HydrophobicContact CE-CB 4.37Å; M716-L736 HydrophobicContact CE-CD1 3.27Å; M716-L736 HydrophobicContact CE-CG 4.41Å; M716-L736 HydrophobicContact SD-CD1 4.17Å; Y718-L736 HydrophobicContact CD2-CD1 4.28Å; Y718-L736 HydrophobicContact CE2-CD2 4.39Å; K731-L736 HydrophobicContact CB-CD1 4.14Å; K731-L736 HydrophobicContact CB-CG 4.36Å; K731-L736 HydrophobicContact CD-CD2 4.19Å; K731-L736 HydrophobicContact CD-CG 4.5Å; Y732-L736 PolarHBondContact O-N 2.88Å; L734-L736 VanDerWaalsContact C-N 3.28Å; L734-L736 PolarHBondContact O-N 3.45Å; L736-E738 PolarHBondContact O-N 3.37Å; L736-H739 CarbonylContact O-C 3.54Å; L736-H739 PolarHBondContact O-N 3.03Å; L736-T740 PolarHBondContact O-N 3.04Å; L736-T740 PolarHBondContact O-OG1 3.04Å
737R83.5Confident74.9Confident82 Ų8265.8 Ų65.831%0.30932%0.316SS..G310 helixtrans-57.8-38.6175.6-75.6-179.9152.7-176.1-13111.8Y511 I515 E519 L734 E735 H739 T740 F742Y511-R737 PolarHBondContact OH-N 3.3Å; I515-R737 HydrophobicContact CD1-CG 4.01Å; I515-R737 VanDerWaalsContact CG2-CZ 3.43Å; E519-R737 IonicContact OE1-CZ 3.31Å; E519-R737 IonicContact OE1-NH1 2.69Å; E519-R737 PolarHBondContact OE1-NH1 2.96Å; E519-R737 IonicContact OE1-NH2 2.81Å; E519-R737 PolarHBondContact OE1-NH2 3.15Å; E519-R737 IonicContact OE2-NH2 2.7Å; E519-R737 PolarHBondContact OE2-NH2 2.86Å; E519-R737 VanDerWaalsContact OE2-NH2 3.15Å; L734-R737 VanDerWaalsContact O-CB 3.31Å; L734-R737 WeakPolarHBondContact O-CB 3.38Å; L734-R737 PolarHBondContact O-N 3.35Å; E735-R737 PolarHBondContact O-N 3.47Å; R737-H739 PolarHBondContact O-N 3.03Å; R737-T740 PolarHBondContact O-N 2.96Å; R737-F742 HydrophobicContact CB-CE2 4.21Å; R737-F742 HydrophobicContact CB-CZ 4.41Å; R737-F742 HydrophobicContact CG-CE2 4.17Å; R737-F742 HydrophobicContact CG-CZ 3.93Å
738E85.6Confident77.1Confident150 Ų15066.1 Ų66.170%0.70131%0.312SS*.G310 helixtrans-66.8-25.5179.6-62.9-170.5164.900112.5E735 L736 K748E735-E738 PolarHBondContact O-N 3.15Å; L736-E738 PolarHBondContact O-N 3.37Å; E738-K748 WeakPolarHBondContact O-CE 3.2Å; E738-K748 PolarHBondContact O-NZ 3.38Å
739H84.2Confident79.2Confident90 Ų9069.2 Ų69.242%0.41732%0.323SS..G310 helixtrans-99.410.9-179.7-58.982.6000112.7E735 L736 R737 K748E735-H739 PolarHBondContact O-ND1 3.48Å; L736-H739 CarbonylContact O-C 3.54Å; L736-H739 PolarHBondContact O-N 3.03Å; R737-H739 PolarHBondContact O-N 3.03Å; H739-K748 WeakPolarHBondContact O-CG 2.72Å; H739-K748 PolarHBondContact O-N 3.42Å
740T90.4Very high80.9Confident7 Ų769.4 Ų69.44%0.04332%0.323CS..EExtended strand (participates in β ladder)trans-114.8134.6-175.8-57.70000111.3F508 Y511 P543 L736 R737 F742F508-T740 HydrophobicContact CE2-CG2 3.68Å; F508-T740 HydrophobicContact CZ-CG2 3.45Å; F508-T740 VanDerWaalsContact CZ-CG2 3.45Å; Y511-T740 HydrophobicContact CE1-CG2 4.06Å; P543-T740 WeakPolarHBondContact CB-OG1 3.24Å; P543-T740 HydrophobicContact CG-CG2 3.72Å; P543-T740 WeakPolarHBondContact CG-OG1 3.38Å; L736-T740 PolarHBondContact O-N 3.04Å; L736-T740 PolarHBondContact O-OG1 3.04Å; R737-T740 PolarHBondContact O-N 2.96Å; T740-F742 HydrophobicContact CG2-CD1 4.19Å; T740-F742 HydrophobicContact CG2-CD2 3.89Å; T740-F742 HydrophobicContact CG2-CE1 4.03Å; T740-F742 HydrophobicContact CG2-CE2 3.73Å; T740-F742 HydrophobicContact CG2-CG 4.1Å; T740-F742 HydrophobicContact CG2-CZ 3.78Å
741D94Very high82.6Confident46 Ų4668.1 Ų68.125%0.24632%0.316CS..EExtended strand (participates in β ladder)trans-93.2101161-176.6-17.3000109V743 H744 R745 L746D741-V743 VanDerWaalsContact C-N 3.31Å; D741-V743 WeakPolarHBondContact OD1-CA 3.29Å; D741-V743 WeakPolarHBondContact OD1-CB 3.12Å; D741-V743 PolarHBondContact OD1-N 3.15Å; D741-H744 PolarHBondContact OD1-N 3.23Å; D741-H744 IonicContact OD1-ND1 3.03Å; D741-H744 PolarHBondContact OD1-ND1 2.95Å; D741-H744 IonicContact OD2-CE1 3.77Å; D741-H744 IonicContact OD2-CG 2.77Å; D741-H744 IonicContact OD2-ND1 2.76Å; D741-H744 PolarHBondContact OD2-ND1 3.45Å; D741-R745 CarbonylContact O-C 3.6Å; D741-R745 WeakPolarHBondContact O-CA 3.49Å; D741-R745 PolarHBondContact O-N 3.47Å; D741-L746 HydrophobicContact CB-CB 4.43Å; D741-L746 PolarHBondContact N-O 2.72Å; D741-L746 PolarHBondContact O-N 2.95Å
742F93.3Very high84.3Confident75 Ų7564.7 Ų64.733%0.32930%0.301SS..THydrogen-bonded Turntrans-72.6-22.4178.5-72.9-84000113.4F508 Y511 I515 R737 T740F508-F742 AromaticContact CE1-CD1 3.9Å; F508-F742 HydrophobicContact CE1-CD1 3.9Å; F508-F742 HydrophobicContact CE1-CE1 4.3Å; F508-F742 AromaticContact CZ-CD1 3.91Å; F508-F742 HydrophobicContact CZ-CD1 3.91Å; F508-F742 HydrophobicContact CZ-CE1 4.21Å; Y511-F742 HydrophobicContact CD1-CE1 4.47Å; Y511-F742 AromaticContact CE1-CE1 3.98Å; Y511-F742 HydrophobicContact CE1-CE1 3.98Å; Y511-F742 AromaticContact CE1-CZ 3.89Å; Y511-F742 HydrophobicContact CE1-CZ 3.89Å; I515-F742 HydrophobicContact CD1-CE1 3.87Å; I515-F742 HydrophobicContact CD1-CZ 3.77Å; R737-F742 HydrophobicContact CB-CE2 4.21Å; R737-F742 HydrophobicContact CB-CZ 4.41Å; R737-F742 HydrophobicContact CG-CE2 4.17Å; R737-F742 HydrophobicContact CG-CZ 3.93Å; T740-F742 HydrophobicContact CG2-CD1 4.19Å; T740-F742 HydrophobicContact CG2-CD2 3.89Å; T740-F742 HydrophobicContact CG2-CE1 4.03Å; T740-F742 HydrophobicContact CG2-CE2 3.73Å; T740-F742 HydrophobicContact CG2-CG 4.1Å; T740-F742 HydrophobicContact CG2-CZ 3.78Å
743V93.6Very high86Confident120 Ų12063.5 Ų63.573%0.72730%0.301SS*.THydrogen-bonded Turntrans-72.3-47.4-178.7178.80000109.6D741D741-V743 VanDerWaalsContact C-N 3.31Å; D741-V743 WeakPolarHBondContact OD1-CA 3.29Å; D741-V743 WeakPolarHBondContact OD1-CB 3.12Å; D741-V743 PolarHBondContact OD1-N 3.15Å
744H93.5Very high87.4Confident52 Ų5266.1 Ų66.124%0.24132%0.319CS..THydrogen-bonded Turntrans-95-7.7179.9-54.4103.8000113Y585 F605 D741 L746Y585-H744 HydrophobicContact CD2-CB 3.96Å; Y585-H744 WeakPolarHBondContact CD2-O 3.49Å; Y585-H744 HydrophobicContact CG-CB 3.98Å; F605-H744 HydrophobicContact CE1-CB 4.16Å; F605-H744 AromaticContact CE1-CG 3.83Å; F605-H744 HydrophobicContact CZ-CB 4.49Å; F605-H744 AromaticContact CZ-CD2 3.49Å; F605-H744 VanDerWaalsContact CZ-CD2 3.49Å; F605-H744 WeakPolarHBondContact CZ-CD2 3.49Å; F605-H744 AromaticContact CZ-CE1 3.85Å; F605-H744 AromaticContact CZ-CG 3.72Å; F605-H744 AromaticContact CZ-ND1 3.93Å; F605-H744 AromaticContact CZ-NE2 3.61Å; D741-H744 PolarHBondContact OD1-N 3.23Å; D741-H744 IonicContact OD1-ND1 3.03Å; D741-H744 PolarHBondContact OD1-ND1 2.95Å; D741-H744 IonicContact OD2-CE1 3.77Å; D741-H744 IonicContact OD2-CG 2.77Å; D741-H744 IonicContact OD2-ND1 2.76Å; D741-H744 PolarHBondContact OD2-ND1 3.45Å; H744-L746 HydrophobicContact CB-CD1 3.86Å; H744-L746 HydrophobicContact CB-CG 4.11Å
745R94.8Very high88.5Confident69 Ų6962.5 Ų62.526%0.2630%0.3SS..THydrogen-bonded Turntrans6154.1-179.5-58.6171.746.5173.7-6.6112.3F508 E509 N541 D741F508-R745 HydrophobicContact CB-CB 4.39Å; F508-R745 HydrophobicContact CD1-CB 3.77Å; F508-R745 HydrophobicContact CD1-CG 3.69Å; F508-R745 HydrophobicContact CD2-CB 3.85Å; F508-R745 HydrophobicContact CE1-CB 3.89Å; F508-R745 HydrophobicContact CE1-CG 3.72Å; F508-R745 VanDerWaalsContact CE2-C 3.44Å; F508-R745 HydrophobicContact CE2-CB 3.97Å; F508-R745 HydrophobicContact CG-CB 3.74Å; F508-R745 HydrophobicContact CG-CG 4.19Å; F508-R745 HydrophobicContact CZ-CB 3.99Å; F508-R745 HydrophobicContact CZ-CG 4.23Å; E509-R745 IonicContact OE1-CZ 3.95Å; E509-R745 IonicContact OE1-NH1 3.67Å; E509-R745 PolarHBondContact OE1-NH1 2.91Å; E509-R745 IonicContact OE1-NH2 2.78Å; E509-R745 PolarHBondContact OE1-NH2 3.01Å; E509-R745 IonicContact OE2-CZ 3.4Å; E509-R745 IonicContact OE2-NH1 3.76Å; E509-R745 IonicContact OE2-NH2 3.84Å; E509-R745 PolarHBondContact OE2-NH2 3.17Å; N541-R745 PolarHBondContact ND2-O 3.13Å; D741-R745 CarbonylContact O-C 3.6Å; D741-R745 WeakPolarHBondContact O-CA 3.49Å; D741-R745 PolarHBondContact O-N 3.47Å
746L92.3Very high89.3Confident9 Ų958.3 Ų58.35%0.04728%0.28CS..EExtended strand (participates in β ladder)trans-131.4151.1-175.2-62.8172.8000111.8N541 C586 F605 D741 H744N541-L746 HydrophobicContact CB-CD2 4.27Å; C586-L746 HydrophobicContact CB-CD2 3.48Å; C586-L746 VanDerWaalsContact CB-CD2 3.48Å; F605-L746 HydrophobicContact CD1-CD1 3.81Å; F605-L746 HydrophobicContact CE1-CD1 3.98Å; D741-L746 HydrophobicContact CB-CB 4.43Å; D741-L746 PolarHBondContact N-O 2.72Å; D741-L746 PolarHBondContact O-N 2.95Å; H744-L746 HydrophobicContact CB-CD1 3.86Å; H744-L746 HydrophobicContact CB-CG 4.11Å
747P89.5Confident89.8Confident17 Ų1759.4 Ų59.411%0.1129%0.287CS..EExtended strand (participates in β ladder)trans-67.2145.6156.7-17.936.5000109.8P543 E749 E750P543-P747 HydrophobicContact CB-CG 4.38Å; P543-P747 HydrophobicContact CG-CG 4.19Å; P747-E749 VanDerWaalsContact C-N 3.3Å; P747-E750 WeakPolarHBondContact CB-OE1 3.03Å; P747-E750 WeakPolarHBondContact CD-OE1 2.92Å; P747-E750 WeakPolarHBondContact CG-OE1 3.48Å
748K86.9Confident90.3Very high134 Ų13455.5 Ų55.558%0.58327%0.272SS*.SBendtrans-74.3-22.5178.2-71.2-178.4-177173.90113.4E738 H739E738-K748 WeakPolarHBondContact O-CE 3.2Å; E738-K748 PolarHBondContact O-NZ 3.38Å; H739-K748 WeakPolarHBondContact O-CG 2.72Å; H739-K748 PolarHBondContact O-N 3.42Å
749E84.3Confident90.7Very high164 Ų16448.5 Ų48.577%0.76624%0.24SC*.  trans-130.1133.6-179.1-66.6-178.5178.500109.2P747P747-E749 VanDerWaalsContact C-N 3.3Å
750E85.8Confident91.1Very high26 Ų2646.2 Ų46.212%0.12123%0.228CC..  trans-139.3122.7-172.5-76.3-68175.900110.4P747 W752 L753P747-E750 WeakPolarHBondContact CB-OE1 3.03Å; P747-E750 WeakPolarHBondContact CD-OE1 2.92Å; P747-E750 WeakPolarHBondContact CG-OE1 3.48Å; E750-W752 VanDerWaalsContact C-N 3.3Å; E750-W752 HydrophobicContact CB-CD2 4.47Å; E750-W752 HydrophobicContact CB-CZ2 4.04Å; E750-W752 HydrophobicContact CG-CZ2 4.01Å; E750-W752 PolarHBondContact O-N 3.48Å; E750-W752 VanDerWaalsContact OE2-CD1 3.29Å; E750-W752 PolarHBondContact OE2-NE1 3.24Å; E750-L753 HydrophobicContact CB-CD1 3.94Å; E750-L753 HydrophobicContact CB-CG 4.07Å; E750-L753 PolarHBondContact O-N 2.99Å
751W87.5Confident91.2Very high47 Ų4745.9 Ų45.918%0.17823%0.226CC..G310 helixtrans-64.3-34.4-173.366.3-95.6000112.9N345 D546 F547 Y588 M592 L753 S754 L755N345-W751 VanDerWaalsContact ND2-CH2 3.28Å; N345-W751 WeakPolarHBondContact ND2-CH2 3.4Å; N345-W751 WeakPolarHBondContact ND2-CZ2 3.48Å; N345-W751 VanDerWaalsContact ND2-CZ3 3.25Å; N345-W751 WeakPolarHBondContact ND2-CZ3 3.38Å; D546-W751 PolarHBondContact O-NE1 3.29Å; D546-W751 VanDerWaalsContact O-NE1 3.11Å; F547-W751 AromaticContact CE1-CZ2 3.88Å; F547-W751 HydrophobicContact CE1-CZ2 3.88Å; F547-W751 AromaticContact CE2-CZ2 3.97Å; F547-W751 HydrophobicContact CE2-CZ2 3.97Å; F547-W751 AromaticContact CZ-CH2 3.93Å; F547-W751 HydrophobicContact CZ-CH2 3.93Å; F547-W751 AromaticContact CZ-CZ2 3.32Å; F547-W751 HydrophobicContact CZ-CZ2 3.32Å; Y588-W751 AromaticContact CE2-CZ2 3.96Å; Y588-W751 HydrophobicContact CE2-CZ2 3.96Å; M592-W751 HydrophobicContact CE-CH2 3.87Å; M592-W751 HydrophobicContact CE-CZ3 4.4Å; M592-W751 HydrophobicContact SD-CH2 4.39Å; W751-L753 VanDerWaalsContact C-N 3.25Å; W751-L753 PolarHBondContact O-N 2.86Å; W751-S754 WeakPolarHBondContact O-CB 3.37Å; W751-S754 PolarHBondContact O-N 3.09Å; W751-S754 PolarHBondContact O-OG 2.99Å; W751-L755 HydrophobicContact CH2-CD1 4.47Å; W751-L755 HydrophobicContact CZ3-CD1 3.72Å
752W91.2Very high91.2Very high0 Ų043.9 Ų43.90%022%0.215CC..G310 helixtrans-74.4-13.9-173.554-92.1000113.2Y588 T591 M592 I604 E606 E750 S754 L755Y588-W752 HydrophobicContact CD2-CB 4.23Å; Y588-W752 AromaticContact CD2-CD1 3.48Å; Y588-W752 VanDerWaalsContact CD2-CD1 3.48Å; Y588-W752 HydrophobicContact CD2-CD2 4.12Å; Y588-W752 AromaticContact CD2-CG 3.67Å; Y588-W752 HydrophobicContact CD2-CG 3.67Å; Y588-W752 AromaticContact CD2-NE1 3.77Å; Y588-W752 HydrophobicContact CE2-CG 4.4Å; T591-W752 HydrophobicContact CG2-CE3 4.06Å; T591-W752 HydrophobicContact CG2-CZ3 4.4Å; T591-W752 WeakPolarHBondContact OG1-CZ3 3.12Å; M592-W752 HydrophobicContact SD-CB 3.8Å; I604-W752 HydrophobicContact CD1-CH2 4.18Å; I604-W752 HydrophobicContact CD1-CZ3 3.84Å; E606-W752 HydrophobicContact CG-CH2 4.34Å; E606-W752 VanDerWaalsContact OE1-CH2 3.26Å; E606-W752 WeakPolarHBondContact OE1-CH2 3.29Å; E606-W752 WeakPolarHBondContact OE1-CZ2 3.33Å; E750-W752 VanDerWaalsContact C-N 3.3Å; E750-W752 HydrophobicContact CB-CD2 4.47Å; E750-W752 HydrophobicContact CB-CZ2 4.04Å; E750-W752 HydrophobicContact CG-CZ2 4.01Å; E750-W752 PolarHBondContact O-N 3.48Å; E750-W752 VanDerWaalsContact OE2-CD1 3.29Å; E750-W752 PolarHBondContact OE2-NE1 3.24Å; W752-S754 PolarHBondContact O-N 3.08Å; W752-L755 WeakPolarHBondContact O-CB 3.25Å; W752-L755 PolarHBondContact O-N 2.88Å
753L91.7Very high91.1Very high60 Ų6040.4 Ų40.431%0.31420%0.2SC..G310 helixtrans-62-31.9172.1-71.2172.5000111.5I604 E606 E750 W751 L755 R756I604-L753 HydrophobicContact CD1-CD2 3.78Å; E606-L753 HydrophobicContact CB-CD1 4.31Å; E606-L753 HydrophobicContact CB-CD2 3.87Å; E606-L753 HydrophobicContact CG-CD2 4.49Å; E750-L753 HydrophobicContact CB-CD1 3.94Å; E750-L753 HydrophobicContact CB-CG 4.07Å; E750-L753 PolarHBondContact O-N 2.99Å; W751-L753 VanDerWaalsContact C-N 3.25Å; W751-L753 PolarHBondContact O-N 2.86Å; L753-L755 PolarHBondContact O-N 3.12Å; L753-L755 VanDerWaalsContact O-N 3.12Å; L753-R756 HydrophobicContact CD2-CG 4.37Å; L753-R756 VanDerWaalsContact O-CB 3.22Å; L753-R756 WeakPolarHBondContact O-CB 3.45Å; L753-R756 WeakPolarHBondContact O-CG 3.07Å; L753-R756 PolarHBondContact O-N 2.95Å
754S88.3Confident90.7Very high56 Ų5639.6 Ų39.639%0.39219%0.187SC..G310 helixtrans-60.8-19.2173.968.70000113.7W751 W752 P757W751-S754 WeakPolarHBondContact O-CB 3.37Å; W751-S754 PolarHBondContact O-N 3.09Å; W751-S754 PolarHBondContact O-OG 2.99Å; W752-S754 PolarHBondContact O-N 3.08Å; S754-P757 VanDerWaalsContact O-CD 3.32Å; S754-P757 WeakPolarHBondContact O-CD 3.26Å
755L91.6Very high90.1Very high1 Ų137.9 Ų37.91%0.00518%0.179CC..G310 helixtrans-86.8-9.1177.7-61-177.9000113.5R317 M592 L595 W751 W752 L753 L758 M759 E772R317-L755 HydrophobicContact CG-CD2 3.99Å; M592-L755 HydrophobicContact CE-CD1 3.75Å; M592-L755 HydrophobicContact SD-CD1 3.86Å; L595-L755 HydrophobicContact CD2-CB 4.43Å; L595-L755 HydrophobicContact CD2-CD1 4.34Å; W751-L755 HydrophobicContact CH2-CD1 4.47Å; W751-L755 HydrophobicContact CZ3-CD1 3.72Å; W752-L755 WeakPolarHBondContact O-CB 3.25Å; W752-L755 PolarHBondContact O-N 2.88Å; L753-L755 PolarHBondContact O-N 3.12Å; L753-L755 VanDerWaalsContact O-N 3.12Å; L755-L758 HydrophobicContact CD2-CD2 4.47Å; L755-L758 VanDerWaalsContact O-CB 3.29Å; L755-L758 WeakPolarHBondContact O-CB 3.5Å; L755-L758 PolarHBondContact O-N 2.74Å; L755-L758 VanDerWaalsContact O-N 3.14Å; L755-M759 PolarHBondContact O-N 3.01Å; L755-E772 VanDerWaalsContact CD2-CD 3.41Å; L755-E772 HydrophobicContact CD2-CG 4.44Å; L755-E772 VanDerWaalsContact CD2-OE1 3.28Å; L755-E772 WeakPolarHBondContact CD2-OE1 3.47Å; L755-E772 WeakPolarHBondContact CD2-OE2 3.44Å
756R92.8Very high88.6Confident13 Ų1339.9 Ų39.95%0.04919%0.194CC..Hα-helixtrans-56.7-46.4178.7-68.6-88.3-55.1169.315.9112.4T591 A602 E607 L753 L758 M759 R760T591-R756 HydrophobicContact CG2-CG 4.11Å; A602-R756 PolarHBondContact O-NH1 3.19Å; A602-R756 PolarHBondContact O-NH2 2.67Å; E607-R756 IonicContact OE1-CZ 3.38Å; E607-R756 IonicContact OE1-NH2 2.97Å; E607-R756 PolarHBondContact OE1-NH2 3.16Å; E607-R756 IonicContact OE2-CZ 3.89Å; E607-R756 IonicContact OE2-NE 2.68Å; E607-R756 PolarHBondContact OE2-NE 3.41Å; E607-R756 IonicContact OE2-NH2 3.22Å; E607-R756 PolarHBondContact OE2-NH2 3.25Å; L753-R756 HydrophobicContact CD2-CG 4.37Å; L753-R756 VanDerWaalsContact O-CB 3.22Å; L753-R756 WeakPolarHBondContact O-CB 3.45Å; L753-R756 WeakPolarHBondContact O-CG 3.07Å; L753-R756 PolarHBondContact O-N 2.95Å; R756-L758 VanDerWaalsContact C-N 3.31Å; R756-L758 PolarHBondContact O-N 2.94Å; R756-M759 WeakPolarHBondContact O-CB 3.42Å; R756-M759 PolarHBondContact O-N 2.93Å; R756-R760 PolarHBondContact O-N 3.2Å; R756-R760 VanDerWaalsContact O-N 3.08Å
757P91.6Very high87.3Confident29 Ų2940.8 Ų40.819%0.18820%0.201CC..Hα-helixtrans-61.7-39.1175.9-23.536.4000112.5S754 M759 R760 I761 L768S754-P757 VanDerWaalsContact O-CD 3.32Å; S754-P757 WeakPolarHBondContact O-CD 3.26Å; P757-M759 VanDerWaalsContact C-N 3.31Å; P757-M759 PolarHBondContact O-N 3.15Å; P757-R760 PolarHBondContact O-N 3.2Å; P757-I761 WeakPolarHBondContact O-CB 3.42Å; P757-I761 VanDerWaalsContact O-CG1 3.26Å; P757-I761 WeakPolarHBondContact O-CG1 3.41Å; P757-I761 PolarHBondContact O-N 3.46Å; P757-L768 VanDerWaalsContact CB-O 3.22Å; P757-L768 WeakPolarHBondContact CB-O 3.43Å
758L92.9Very high85.7Confident0 Ų044.9 Ų44.90%022%0.222CC..Hα-helixtrans-57-48176-172.451.8000110.7M42 R317 A320 L595 L755 R756 R760 I761 M762 Y769M42-L758 HydrophobicContact CE-CD1 4.32Å; R317-L758 HydrophobicContact CB-CD2 4.45Å; R317-L758 HydrophobicContact CG-CD2 3.88Å; A320-L758 HydrophobicContact CB-CD1 3.51Å; L595-L758 HydrophobicContact CD1-CD2 4.44Å; L595-L758 HydrophobicContact CD1-CG 4.24Å; L595-L758 HydrophobicContact CD2-CD2 4.37Å; L755-L758 HydrophobicContact CD2-CD2 4.47Å; L755-L758 VanDerWaalsContact O-CB 3.29Å; L755-L758 WeakPolarHBondContact O-CB 3.5Å; L755-L758 PolarHBondContact O-N 2.74Å; L755-L758 VanDerWaalsContact O-N 3.14Å; R756-L758 VanDerWaalsContact C-N 3.31Å; R756-L758 PolarHBondContact O-N 2.94Å; L758-R760 PolarHBondContact O-N 2.61Å; L758-I761 PolarHBondContact O-N 3Å; L758-M762 HydrophobicContact CD1-CE 3.85Å; L758-M762 HydrophobicContact CD1-CG 4.03Å; L758-M762 HydrophobicContact CG-CG 4.31Å; L758-M762 VanDerWaalsContact O-CB 3.27Å; L758-M762 WeakPolarHBondContact O-CB 3.32Å; L758-M762 WeakPolarHBondContact O-CG 3.29Å; L758-M762 PolarHBondContact O-N 2.87Å; L758-Y769 HydrophobicContact CB-CD2 4.4Å; L758-Y769 HydrophobicContact CB-CE2 3.77Å; L758-Y769 HydrophobicContact CD1-CD2 4.4Å; L758-Y769 HydrophobicContact CD1-CE2 3.69Å; L758-Y769 HydrophobicContact CG-CE2 4.16Å
759M94.6Very high84.8Confident4 Ų438.7 Ų38.72%0.0220%0.195CC..Hα-helixtrans-57.5-49.1178.3-178.2-153.171.100111.2A594 L595 A602 L755 R756 P757 M762 A763A594-M759 HydrophobicContact CB-CG 4.18Å; A594-M759 HydrophobicContact CB-SD 3.48Å; A594-M759 WeakPolarHBondContact CB-SD 3.44Å; L595-M759 HydrophobicContact CD1-CB 4.33Å; A602-M759 HydrophobicContact CB-CE 4Å; A602-M759 HydrophobicContact CB-SD 3.61Å; L755-M759 PolarHBondContact O-N 3.01Å; R756-M759 WeakPolarHBondContact O-CB 3.42Å; R756-M759 PolarHBondContact O-N 2.93Å; P757-M759 VanDerWaalsContact C-N 3.31Å; P757-M759 PolarHBondContact O-N 3.15Å; M759-M762 PolarHBondContact O-N 2.85Å; M759-A763 PolarHBondContact O-N 2.69Å; M759-A763 VanDerWaalsContact O-N 3.16Å
760R93.1Very high84Confident42 Ų4234.8 Ų34.816%0.15818%0.177CC..Hα-helixtrans-63.5-45.3179.7-68.9-160.679.1126.111.3112.5E607 D617 R756 P757 L758 M762 A763 K764 H765E607-R760 IonicContact OE1-NH1 3Å; D617-R760 IonicContact OD1-NH2 2.86Å; D617-R760 PolarHBondContact OD1-NH2 2.83Å; R756-R760 PolarHBondContact O-N 3.2Å; R756-R760 VanDerWaalsContact O-N 3.08Å; P757-R760 PolarHBondContact O-N 3.2Å; L758-R760 PolarHBondContact O-N 2.61Å; R760-M762 VanDerWaalsContact C-N 3.34Å; R760-M762 PolarHBondContact O-N 3.38Å; R760-A763 CarbonylContact O-C 3.5Å; R760-A763 WeakPolarHBondContact O-CA 3.41Å; R760-A763 WeakPolarHBondContact O-CB 3.42Å; R760-A763 PolarHBondContact O-N 3.15Å; R760-K764 PolarHBondContact O-N 2.91Å; R760-H765 HydrophobicContact CB-CB 4.07Å; R760-H765 PolarHBondContact NH2-ND1 2.97Å; R760-H765 PolarHBondContact O-N 3.07Å
761I91.9Very high82.9Confident0 Ų034.5 Ų34.50%018%0.178CC..Hα-helixtrans-61.6-46.8177-69.6166.9000109.7M42 Y45 W72 P757 L758 A763 K764 S767 Y769M42-I761 HydrophobicContact SD-CG2 4.28Å; Y45-I761 HydrophobicContact CD1-CD1 4.32Å; Y45-I761 HydrophobicContact CD1-CG2 3.83Å; Y45-I761 HydrophobicContact CD2-CG1 4.38Å; Y45-I761 HydrophobicContact CD2-CG2 3.8Å; Y45-I761 HydrophobicContact CE1-CD1 3.89Å; Y45-I761 HydrophobicContact CE1-CG1 4.3Å; Y45-I761 HydrophobicContact CE1-CG2 4.38Å; Y45-I761 HydrophobicContact CE2-CG1 4.11Å; Y45-I761 HydrophobicContact CE2-CG2 4.37Å; Y45-I761 HydrophobicContact CG-CG2 3.52Å; W72-I761 VanDerWaalsContact CH2-O 3.22Å; W72-I761 WeakPolarHBondContact CH2-O 3.14Å; P757-I761 WeakPolarHBondContact O-CB 3.42Å; P757-I761 VanDerWaalsContact O-CG1 3.26Å; P757-I761 WeakPolarHBondContact O-CG1 3.41Å; P757-I761 PolarHBondContact O-N 3.46Å; L758-I761 PolarHBondContact O-N 3Å; I761-A763 PolarHBondContact O-N 3.4Å; I761-K764 PolarHBondContact O-N 3.43Å; I761-S767 WeakPolarHBondContact CD1-O 3.17Å; I761-Y769 VanDerWaalsContact CD1-CB 3.46Å; I761-Y769 HydrophobicContact CD1-CD2 3.87Å; I761-Y769 HydrophobicContact CD1-CG 4.07Å
762M93.8Very high81.8Confident3 Ų333.5 Ų33.52%0.01518%0.175CC..Hα-helixtrans-59.9-18.1176.2-71.7-60118.900112.5R37 A38 R41 M42 W72 L758 M759 R760R37-M762 PolarHBondContact NH2-O 3.35Å; A38-M762 HydrophobicContact CB-CE 4.49Å; A38-M762 HydrophobicContact CB-SD 4.13Å; R41-M762 HydrophobicContact CB-CE 3.88Å; R41-M762 HydrophobicContact CB-SD 3.66Å; R41-M762 VanDerWaalsContact CD-O 3.31Å; R41-M762 WeakPolarHBondContact CD-O 3.34Å; R41-M762 HydrophobicContact CG-SD 4.43Å; R41-M762 PolarHBondContact NH1-O 3.47Å; M42-M762 HydrophobicContact CB-CE 4.01Å; W72-M762 WeakPolarHBondContact CZ2-O 3.34Å; L758-M762 HydrophobicContact CD1-CE 3.85Å; L758-M762 HydrophobicContact CD1-CG 4.03Å; L758-M762 HydrophobicContact CG-CG 4.31Å; L758-M762 VanDerWaalsContact O-CB 3.27Å; L758-M762 WeakPolarHBondContact O-CB 3.32Å; L758-M762 WeakPolarHBondContact O-CG 3.29Å; L758-M762 PolarHBondContact O-N 2.87Å; M759-M762 PolarHBondContact O-N 2.85Å; R760-M762 VanDerWaalsContact C-N 3.34Å; R760-M762 PolarHBondContact O-N 3.38Å
763A90.7Very high80.2Confident3 Ų333.9 Ų33.93%0.02518%0.178CC..THydrogen-bonded Turntrans-94.2-2.117300000114.5D600 H620 M759 R760 I761D600-A763 WeakPolarHBondContact O-CB 3.39Å; H620-A763 PolarHBondContact CE1-O 3.16Å; H620-A763 PolarHBondContact NE2-O 3.16Å; M759-A763 PolarHBondContact O-N 2.69Å; M759-A763 VanDerWaalsContact O-N 3.16Å; R760-A763 CarbonylContact O-C 3.5Å; R760-A763 WeakPolarHBondContact O-CA 3.41Å; R760-A763 WeakPolarHBondContact O-CB 3.42Å; R760-A763 PolarHBondContact O-N 3.15Å; I761-A763 PolarHBondContact O-N 3.4Å
764K86.7Confident78.7Confident102 Ų10233.4 Ų33.444%0.44318%0.175SC..THydrogen-bonded Turntrans75.625.2-176.1-156.7-174.6176.3-176.80113.5W72 R760 I761W72-K764 HydrophobicContact CD2-CB 4.48Å; W72-K764 HydrophobicContact CD2-CD 4.29Å; W72-K764 HydrophobicContact CD2-CG 4.42Å; W72-K764 HydrophobicContact CG-CD 4.45Å; W72-K764 HydrophobicContact CH2-CB 3.95Å; W72-K764 HydrophobicContact CH2-CG 4.42Å; W72-K764 HydrophobicContact CZ2-CB 3.47Å; W72-K764 VanDerWaalsContact CZ2-CB 3.47Å; W72-K764 HydrophobicContact CZ2-CG 4.2Å; R760-K764 PolarHBondContact O-N 2.91Å; I761-K764 PolarHBondContact O-N 3.43Å
765H79.8Confident77.1Confident17 Ų1734.4 Ų34.48%0.07918%0.175CC..  trans-81.7154.6163.7-69.9-92.5000110.6D600 D617 H620 R760 S767D600-H765 PolarHBondContact O-NE2 2.98Å; D617-H765 IonicContact OD1-CE1 3.7Å; D617-H765 PolarHBondContact OD1-CE1 3.44Å; D617-H765 IonicContact OD1-ND1 2.77Å; D617-H765 IonicContact OD1-NE2 3.32Å; H620-H765 AromaticContact CD2-CE1 3.79Å; H620-H765 AromaticContact CD2-NE2 3.4Å; H620-H765 PolarHBondContact CD2-NE2 3.17Å; H620-H765 AromaticContact CE1-NE2 3.94Å; H620-H765 AromaticContact CG-CE1 3.49Å; H620-H765 VanDerWaalsContact CG-CE1 3.49Å; H620-H765 AromaticContact CG-NE2 3.57Å; H620-H765 AromaticContact ND1-CE1 3.88Å; H620-H765 AromaticContact ND1-NE2 3.91Å; H620-H765 AromaticContact NE2-NE2 3.73Å; R760-H765 HydrophobicContact CB-CB 4.07Å; R760-H765 PolarHBondContact NH2-ND1 2.97Å; R760-H765 PolarHBondContact O-N 3.07Å; H765-S767 PolarHBondContact O-N 2.95Å
766D64.5Low75.3Confident110 Ų11035.6 Ų35.659%0.58818%0.184SC*.  trans-77.7117.6169.2-71.4-38.9000109R12R12-D766 WeakPolarHBondContact CD-OD1 3.19Å; R12-D766 IonicContact CZ-OD1 3.95Å; R12-D766 IonicContact NE-OD1 2.65Å; R12-D766 IonicContact NH1-OD1 2.86Å; R12-D766 PolarHBondContact NH1-OD1 3.15Å; R12-D766 IonicContact NH1-OD2 3.58Å; R12-D766 PolarHBondContact NH1-OD2 3.24Å
767S64.6Low73Confident28 Ų2837.9 Ų37.920%0.19621%0.212CC..  trans-153.6140177.9-172.90000109.4Y45 I761 H765 Y769Y45-S767 PolarHBondContact OH-O 3.34Å; I761-S767 WeakPolarHBondContact CD1-O 3.17Å; H765-S767 PolarHBondContact O-N 2.95Å; S767-Y769 PolarHBondContact O-N 3.11Å
768L56.6Low70.6Confident104 Ų10437.1 Ų37.155%0.54521%0.207SC..PPolyproline II helixtrans-72.7122.9174.6-81.1148.9000109.7Y9 P757Y9-L768 HydrophobicContact CD1-CB 4.12Å; Y9-L768 HydrophobicContact CD1-CD2 4.49Å; P757-L768 VanDerWaalsContact CB-O 3.22Å; P757-L768 WeakPolarHBondContact CB-O 3.43Å
769Y66.8Low68.2Low3 Ų343.5 Ų43.51%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-88.2134.4174.6-169-105.7000110.5Y9 V10 M42 L324 L758 I761 S767Y9-Y769 CarbonylContact C-O 3.54Å; Y9-Y769 VanDerWaalsContact CA-O 3.29Å; Y9-Y769 WeakPolarHBondContact CA-O 3.43Å; V10-Y769 PolarHBondContact N-O 3.03Å; V10-Y769 PolarHBondContact O-N 3.48Å; M42-Y769 HydrophobicContact CE-CD1 3.67Å; M42-Y769 HydrophobicContact CE-CD2 3.66Å; M42-Y769 HydrophobicContact CE-CE1 3.83Å; M42-Y769 HydrophobicContact CE-CE2 3.83Å; M42-Y769 HydrophobicContact CE-CG 3.55Å; L324-Y769 HydrophobicContact CD1-CD1 3.51Å; L324-Y769 HydrophobicContact CD1-CE1 3.41Å; L324-Y769 VanDerWaalsContact CD1-CE1 3.41Å; L758-Y769 HydrophobicContact CB-CD2 4.4Å; L758-Y769 HydrophobicContact CB-CE2 3.77Å; L758-Y769 HydrophobicContact CD1-CD2 4.4Å; L758-Y769 HydrophobicContact CD1-CE2 3.69Å; L758-Y769 HydrophobicContact CG-CE2 4.16Å; I761-Y769 VanDerWaalsContact CD1-CB 3.46Å; I761-Y769 HydrophobicContact CD1-CD2 3.87Å; I761-Y769 HydrophobicContact CD1-CG 4.07Å; S767-Y769 PolarHBondContact O-N 3.11Å
770E67.8Low65.8Low83 Ų8345.9 Ų45.939%0.38825%0.249SC..EExtended strand (participates in β ladder)trans-103.8127167.8-173.9170.9-163.800109.3Y9 E772Y9-E770 HydrophobicContact CE1-CB 4.4Å; E770-E772 PolarHBondContact O-N 3.27Å
771S62.7Low62.9Low20 Ų2055.5 Ų55.514%0.1429%0.293CS..PPolyproline II helixtrans-62.2122.1175.21710000110.2E321 S773E321-S771 PolarHBondContact OE1-OG 2.75Å; E321-S771 PolarHBondContact OE2-OG 3.4Å; S771-S773 PolarHBondContact O-N 2.77Å; S771-S773 PolarHBondContact OG-N 3.36Å
772E64Low61.5Low25 Ų2558.3 Ų58.312%0.11731%0.307CS..  trans-71.2-22176-64.6-16987.800112.3R317 Q346 A347 L755 E770R317-E772 IonicContact CZ-OE1 2.86Å; R317-E772 IonicContact CZ-OE2 3.55Å; R317-E772 IonicContact NE-OE1 3.37Å; R317-E772 PolarHBondContact NE-OE1 3.36Å; R317-E772 IonicContact NE-OE2 3.07Å; R317-E772 PolarHBondContact NE-OE2 3.49Å; R317-E772 IonicContact NH2-OE1 3.08Å; R317-E772 PolarHBondContact NH2-OE1 3.11Å; R317-E772 IonicContact NH2-OE2 3.69Å; Q346-E772 PolarHBondContact NE2-O 3.21Å; A347-E772 HydrophobicContact CB-CB 4.37Å; L755-E772 VanDerWaalsContact CD2-CD 3.41Å; L755-E772 HydrophobicContact CD2-CG 4.44Å; L755-E772 VanDerWaalsContact CD2-OE1 3.28Å; L755-E772 WeakPolarHBondContact CD2-OE1 3.47Å; L755-E772 WeakPolarHBondContact CD2-OE2 3.44Å; E770-E772 PolarHBondContact O-N 3.27Å
773S57.8Low59.8Low9 Ų961.2 Ų61.26%0.06332%0.323CS..  trans-93.9142-161.5860000115.8E321 A347 R349 S771E321-S773 WeakPolarHBondContact OE1-CB 3.38Å; E321-S773 PolarHBondContact OE1-OG 2.89Å; A347-S773 WeakPolarHBondContact O-CA 3.23Å; A347-S773 VanDerWaalsContact O-CB 3.23Å; A347-S773 WeakPolarHBondContact O-CB 3.38Å; R349-S773 WeakPolarHBondContact CD-OG 3.28Å; R349-S773 WeakPolarHBondContact CG-OG 3.49Å; R349-S773 PolarHBondContact NE-OG 3.38Å; S771-S773 PolarHBondContact O-N 2.77Å; S771-S773 PolarHBondContact OG-N 3.36Å
774I59.9Low58.1Low49 Ų4964.4 Ų64.425%0.25134%0.339SS..EExtended strand (participates in β ladder)trans-110.9142.5171.3-51.8174.2000107.2W4 R349 A776W4-I774 HydrophobicContact CD2-CG2 4.45Å; W4-I774 HydrophobicContact CE3-CG2 3.3Å; W4-I774 HydrophobicContact CZ3-CG2 3.46Å; W4-I774 VanDerWaalsContact CZ3-CG2 3.46Å; R349-I774 PolarHBondContact N-O 2.85Å; R349-I774 VanDerWaalsContact N-O 3.15Å; I774-A776 PolarHBondContact O-N 3.11Å; I774-A776 VanDerWaalsContact O-N 3.14Å
775M54.5Low56.4Low78 Ų7862.2 Ų62.238%0.38433%0.333SS..EExtended strand (participates in β ladder)trans-69.1107170.6-85.8-83-89.700109.2W4 L335 P336 R349W4-M775 WeakPolarHBondContact CZ3-O 3.2Å; L335-M775 HydrophobicContact CD2-CE 3.66Å; L335-M775 HydrophobicContact CD2-SD 4.29Å; P336-M775 HydrophobicContact CG-CE 4.39Å; R349-M775 HydrophobicContact CB-CG 4.36Å; R349-M775 HydrophobicContact CB-SD 3.81Å
776A55Low54.9Low25 Ų2565.1 Ų65.121%0.20735%0.349CS..  trans-99.6143.1-177.800000111.5V348 R349 I774V348-A776 HydrophobicContact CB-CB 4.02Å; V348-A776 HydrophobicContact CG1-CB 4.3Å; V348-A776 HydrophobicContact CG2-CB 4.4Å; R349-A776 PolarHBondContact O-N 3.37Å; I774-A776 PolarHBondContact O-N 3.11Å; I774-A776 VanDerWaalsContact O-N 3.14Å
777G43.2Very low54.3Low61 Ų6162.1 Ų62.163%0.62933%0.333SS*.  trans-70.1154165.600000111.1D779G777-D779 VanDerWaalsContact C-N 3.31Å
778T41.1Very low53.6Low13 Ų1364.5 Ų64.58%0.0834%0.343CS..SBendtrans-75.7-18.4176.1440000114.3V350 K354 R358 R780V350-T778 HydrophobicContact CG1-CG2 3.34Å; K354-T778 HydrophobicContact CB-CG2 3.52Å; K354-T778 HydrophobicContact CD-CG2 3.99Å; K354-T778 VanDerWaalsContact CD-OG1 3.32Å; K354-T778 WeakPolarHBondContact CD-OG1 3.48Å; K354-T778 HydrophobicContact CG-CG2 4.43Å; R358-T778 PolarHBondContact NH1-O 2.97Å; R358-T778 VanDerWaalsContact NH1-O 3.08Å; T778-R780 PolarHBondContact O-N 2.92Å
779D42.7Very low53.3Low134 Ų13461.5 Ų61.572%0.71733%0.327SS*.  trans-83.977.9-173.8-59.7-21.5000108.6G777 K781G777-D779 VanDerWaalsContact C-N 3.31Å; D779-K781 PolarHBondContact O-N 2.63Å
780R44.6Very low52.2Low54 Ų5466.3 Ų66.320%0.20435%0.354CS..  trans-63.8109.2165.3-61.4178.1177.2-168.1-11107.2G173 D175 L342 T778G173-R780 PolarHBondContact O-NH2 3.45Å; D175-R780 IonicContact OD1-CZ 3.91Å; D175-R780 IonicContact OD1-NH1 2.64Å; D175-R780 PolarHBondContact OD1-NH1 3.39Å; D175-R780 IonicContact OD1-NH2 2.8Å; L342-R780 PolarHBondContact O-NH2 3.42Å; T778-R780 PolarHBondContact O-N 2.92Å
781K33.1Very low50.8Low245 Ų24564.8 Ų64.8100%1.06535%0.351SS*.  trans-90.10164.9-85.6-169.4174.9-175.60110.1D779D779-K781 PolarHBondContact O-N 2.63Å

Retrieved 781 of 781 residues in 427.6 ms (Link to these results)

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